Database search parameters | ||
| database name: | 230313_Full_DB_30Peaks_0.75.pkf | |
| date / time of analysis: | 15-Dec-2024 / 11:06:07 | |
| # of database entries: | 1733 | |
| distance method: | Pearson scaling | |
| use weightings: | distances obtained using peak intensities, weighting factor: 0.1 | |
| vary calibration parameters: | the complete set of calibration parameters was applied | |
| # of variations: | 343 ⇒ (3×2+1)³ variations of calibration parameters | |
| rel width of m/z intervals (ppm): | 800 | |
| calib variation range factor: | 3 | |
| m/z range: | [1975 - 13162.5] | |
| peak number ratio corr factor: | 1 | |
| log score thresholds: | [2.5 - 2.75] | |
| thresholds of rank list analyses: | [400 - 600] | |
| mean score of rank list analyses: | 769.9671 | |
Short identification report for MALDI-ToF test spectra | ||||||||||
| Test spectra: ID's and quality test results | Summaries of score ranking lists | Score | Top entries of score ranking lists | Score | ||||||
| # 1 - 2013_06_13_Maren_Stämmler_0001 | 1 - Burkholderia pseudomallei | 836.2 | 1 - Burkholderia pseudomallei A335-1 | 776.4 | ||||||
| RKI MALDI sample 01, QUANDHIP EQAE ring t ... | 2 - Burkholderia thailandensis | 1.5 | 2 - Burkholderia pseudomallei PITT 521 041206RR1059 | 708.8 | ||||||
| 3 - Burkholderia mallei | 0.2 | 3 - Burkholderia pseudomallei 03 04448 251109RR8920 | 626.1 | ||||||
| # 2 - 2013_06_14_Maren_Stämmler_0001 | 1 - Burkholderia pseudomallei | 851.9 | 1 - Burkholderia pseudomallei A335-1 | 804.9 | ||||||
| RKI MALDI sample 01, QUANDHIP EQAE ring t ... | 2 - Burkholderia mallei | 0.7 | 2 - Burkholderia pseudomallei PITT 521 041206RR1059 | 736.7 | ||||||
| 3 - Burkholderia thailandensis | 0 | 3 - Burkholderia pseudomallei Heckeshorn 041206RR1061 | 652.8 | ||||||
| # 3 - 2013_06_13_Maren_Stämmler_0002 | 1 - Francisella tularensis ssp. holarctica | 892.6 | 1 - Francisella tularensis ssp. holarctica 06T0001 | 841 | ||||||
| RKI MALDI sample 02, QUANDHIP EQAE ring t ... | 2 - Francisella tularensis ssp. tularensis | 3.4 | 2 - Francisella tularensis ssp. holarctica A 1935-3 | 780.3 | ||||||
| 3 - Francisella tularensis ssp. mediasiatica | 1.4 | 3 - Francisella tularensis ssp. holarctica Gaisky | 760.8 | ||||||
| # 4 - 2013_06_14_Maren_Stämmler_0002 | 1 - Francisella tularensis ssp. holarctica | 906.5 | 1 - Francisella tularensis ssp. holarctica A 1935-3 | 835.3 | ||||||
| RKI MALDI sample 02, QUANDHIP EQAE ring t ... | 2 - Francisella tularensis ssp. tularensis | 3.6 | 2 - Francisella tularensis ssp. holarctica Gaisky | 812 | ||||||
| 3 - Francisella tularensis ssp. mediasiatica | 1.7 | 3 - Francisella tularensis ssp. holarctica 06T0001 | 810.4 | ||||||
| # 5 - 2013_06_13_Maren_Stämmler_0003 | 1 - Brucella canis | 780 | 1 - Brucella canis A183-5 | 787.9 | ||||||
| RKI MALDI sample 03, QUANDHIP EQAE ring t ... | 2 - Brucella abortus | 110.2 | 2 - Brucella canis A446-3 | 717.4 | ||||||
| 3 - Brucella melitensis | 32 | 3 - Brucella canis 04 1 001 29 | 687.1 | ||||||
| # 6 - 2013_06_14_Maren_Stämmler_0003 | 1 - Brucella canis | 719.9 | 1 - Brucella canis A183-5 | 788.5 | ||||||
| RKI MALDI sample 03, QUANDHIP EQAE ring t ... | 2 - Brucella abortus | 147.5 | 2 - Brucella canis A446-3 | 743.9 | ||||||
| 3 - Brucella melitensis | 49.6 | 3 - Brucella abortus A104-10 | 681.7 | ||||||
| # 7 - 2013_06_17_Maren_Stämmler_0001 | 1 - Bacillus anthracis | 861.8 | 1 - Bacillus anthracis ATCC 4229 (RKI) | 740.5 | ||||||
| RKI MALDI sample 04, QUANDHIP EQAE ring t ... | 2 - Bacillus cereus | 0.5 | 2 - Bacillus anthracis unknown origin (A7, Beyer) | 740.1 | ||||||
| 3 - n/a | 0 | 3 - Bacillus anthracis unknown origin (A9, Beyer) | 713.3 | ||||||
| # 8 - 2013_06_14_Maren_Stämmler_0004 | 1 - Bacillus anthracis | 832.8 | 1 - Bacillus anthracis unknown origin (A28, Beyer) | 688.8 | ||||||
| RKI MALDI sample 04, QUANDHIP EQAE ring t ... | 2 - Bacillus cereus s.l. | 1.1 | 2 - Bacillus anthracis unknown origin (A36, Beyer) | 687.5 | ||||||
| 3 - Bacillus cereus | 0 | 3 - Bacillus anthracis unknown origin (A73, Beyer) | 682.8 | ||||||
| # 9 - 2013_06_13_Maren_Stämmler_0004 | 1 - Bacillus anthracis | 868.8 | 1 - Bacillus anthracis unknown origin (A61, Beyer) | 764.8 | ||||||
| RKI MALDI sample 04, QUANDHIP EQAE ring t ... | 2 - Bacillus cereus | 2.6 | 2 - Bacillus anthracis unknown origin (A27, Beyer) | 739.3 | ||||||
| 3 - n/a | 0 | 3 - Bacillus anthracis ATCC 4229 (RKI) | 739.3 | ||||||
| # 10 - 2013_06_13_Maren_Stämmler_0005 | 1 - Ochrobactrum anthropi | 863.9 | 1 - Ochrobactrum anthropi DSM 20150, ATCC 11425 | 741.7 | ||||||
| RKI MALDI sample 05, QUANDHIP EQAE ring t ... | 2 - Brucella intermedia | 150.9 | 2 - Ochrobactrum anthropi Ring trial A-269 08 A | 715.2 | ||||||
| 3 - Burkholderia plantarii | 74.8 | 3 - Brucella intermedia A1309 | 382.8 | ||||||
| # 11 - 2013_06_14_Maren_Stämmler_0005 | 1 - Ochrobactrum anthropi | 835.4 | 1 - Ochrobactrum anthropi DSM 20150, ATCC 11425 | 685 | ||||||
| RKI MALDI sample 05, QUANDHIP EQAE ring t ... | 2 - Brucella intermedia | 141.9 | 2 - Ochrobactrum anthropi Ring trial A-269 08 A | 683.8 | ||||||
| 3 - Brucella abortus | 49.1 | 3 - Brucella intermedia A1309 | 353.4 | ||||||
| # 12 - 2013_06_13_Maren_Stämmler_0006 | 1 - Yersinia pseudotuberculosis | 794.6 | 1 - Yersinia pseudotuberculosis 29827 | 796.9 | ||||||
| RKI MALDI sample 06, QUANDHIP EQAE ring t ... | 2 - Yersinia pestis | 66.5 | 2 - Yersinia pseudotuberculosis 29490 | 719.3 | ||||||
| 3 - Yersinia pestis | 0.2 | 3 - Yersinia pseudotuberculosis 25743 | 693 | ||||||
| # 13 - 2013_06_14_Maren_Stämmler_0006 | 1 - Yersinia pseudotuberculosis | 865.6 | 1 - Yersinia pseudotuberculosis 29827 | 767.2 | ||||||
| RKI MALDI sample 06, QUANDHIP EQAE ring t ... | 2 - Yersinia pestis | 10 | 2 - Yersinia pseudotuberculosis VI | 766 | ||||||
| 3 - Yersinia pestis | 0.2 | 3 - Yersinia pseudotuberculosis 29490 | 746.2 | ||||||
| # 14 - 2013_06_13_Maren_Stämmler_0007 | 1 - Burkholderia mallei | 823.1 | 1 - Burkholderia mallei Mukteswar 290103RR0041 | 699.8 | ||||||
| RKI MALDI sample 07, QUANDHIP EQAE ring t ... | 2 - Burkholderia pseudomallei | 0 | 2 - Burkholderia mallei 3708 | 659.7 | ||||||
| 3 - n/a | 0 | 3 - Burkholderia mallei Dubai 7 | 650.3 | ||||||
| # 15 - 2013_06_14_Maren_Stämmler_0007 | 1 - Burkholderia mallei | 781.5 | 1 - Burkholderia mallei Mukteswar 290103RR0041 | 714.3 | ||||||
| RKI MALDI sample 07, QUANDHIP EQAE ring t ... | 2 - Burkholderia pseudomallei | 49 | 2 - Burkholderia mallei Dubai 7 | 678.1 | ||||||
| 3 - n/a | 0 | 3 - Burkholderia mallei 3708 | 657.8 | ||||||
| # 16 - 2013_06_17_Maren_Stämmler_0002 | 1 - Burkholderia thailandensis | 816.6 | 1 - Burkholderia thailandensis E163 | 669.8 | ||||||
| RKI MALDI sample 08, QUANDHIP EQAE ring t ... | 2 - Burkholderia pseudomallei | 0 | 2 - Burkholderia thailandensis E125 | 668.1 | ||||||
| 3 - n/a | 0 | 3 - Burkholderia thailandensis E207 | 645.6 | ||||||
| # 17 - 2013_06_13_Maren_Stämmler_0008 | 1 - Burkholderia thailandensis | 880.3 | 1 - Burkholderia thailandensis DSM 13276 | 768.2 | ||||||
| RKI MALDI sample 08, QUANDHIP EQAE ring t ... | 2 - Burkholderia mallei | 0 | 2 - Burkholderia thailandensis E202 | 765.6 | ||||||
| 3 - n/a | 0 | 3 - Burkholderia thailandensis E184 | 764.2 | ||||||
| # 18 - 2013_06_14_Maren_Stämmler_0008 | 1 - Burkholderia thailandensis | 872.6 | 1 - Burkholderia thailandensis DSM 13276 | 767.2 | ||||||
| RKI MALDI sample 08, QUANDHIP EQAE ring t ... | 2 - Burkholderia pseudomallei | 0 | 2 - Burkholderia thailandensis E125 | 737.2 | ||||||
| 3 - Burkholderia mallei | 0 | 3 - Burkholderia thailandensis E067 | 736.2 | ||||||
| # 19 - 2013_06_17_Maren_Stämmler_0003 | 1 - Yersinia pestis | 385.7 | 1 - Yersinia pestis O3-01500 | 350.6 | ||||||
| RKI MALDI sample 09, QUANDHIP EQAE ring t ... | 2 - Yersinia similis | 55.9 | 2 - Yersinia pestis O3-01501 | 302.3 | ||||||
| 3 - Bacillus anthracis | 43 | 3 - Yersinia pestis CCUG EV 76, CCUG 32133 | 288.5 | ||||||
| # 20 - 2013_06_13_Maren_Stämmler_0009 | 1 - Yersinia pestis | 400 | 1 - Yersinia pestis O3-01501 | 368.8 | ||||||
| RKI MALDI sample 09, QUANDHIP EQAE ring t ... | 2 - Bacillus anthracis | 80.8 | 2 - Yersinia pestis O3-01500 | 334.9 | ||||||
| 3 - Yersinia similis | 48.6 | 3 - Bacillus anthracis unknown origin (A122, Beyer) | 329 | ||||||
| # 21 - 2013_06_14_Maren_Stämmler_0009 | 1 - Yersinia pestis | 385 | 1 - Yersinia pestis O3-01501 | 364.6 | ||||||
| RKI MALDI sample 09, QUANDHIP EQAE ring t ... | 2 - Bacillus anthracis | 80.9 | 2 - Yersinia pestis O3-01500 | 329.7 | ||||||
| 3 - Yersinia similis | 78.1 | 3 - Bacillus anthracis unknown origin (A122, Beyer) | 329.4 | ||||||
| # 22 - 2013_06_17_Maren_Stämmler_0004 | 1 - Bacillus thuringiensis | 707.9 | 1 - Bacillus thuringiensis DSM 2046 (B188, Beyer) | 552.4 | ||||||
| RKI MALDI sample 10, QUANDHIP EQAE ring t ... | 2 - Bacillus cereus | 11.5 | 2 - Bacillus thuringiensis DSM 2046 | 526.6 | ||||||
| 3 - Bacillus anthracis | 1.5 | 3 - Bacillus thuringiensis DSM 6890 | 515.6 | ||||||
| # 23 - 2013_06_13_Maren_Stämmler_0010 | 1 - Bacillus thuringiensis | 804.4 | 1 - Bacillus thuringiensis DSM 6890 | 703.6 | ||||||
| RKI MALDI sample 10, QUANDHIP EQAE ring t ... | 2 - Bacillus toyonensis | 8.2 | 2 - Bacillus thuringiensis DSM 350 | 644.9 | ||||||
| 3 - Bacillus anthracis | 2.3 | 3 - Bacillus thuringiensis DSM 2046 (B188, Beyer) | 641.6 | ||||||
| # 24 - 2013_06_14_Maren_Stämmler_0010 | 1 - Bacillus thuringiensis | 712.1 | 1 - Bacillus thuringiensis DSM 350 | 581.9 | ||||||
| RKI MALDI sample 10, QUANDHIP EQAE ring t ... | 2 - Bacillus anthracis | 13.9 | 2 - Bacillus thuringiensis DSM 6890 | 547.8 | ||||||
| 3 - Bacillus toyonensis | 3.8 | 3 - Bacillus thuringiensis WS 2621 | 510.8 | ||||||
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 01, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0001 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 28450 | |
| NCBI ID (secondary): | 28450 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Burkholderia pseudomallei A101-10: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T13:52:45.062+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_01/0_H3/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Burkholderia pseudomallei | 836.1696 | 2.9223 | 28450 | 20 |
| 2 | Burkholderia thailandensis | 1.5338 | 0.18578 | 57975 | 15 |
| 3 | Burkholderia mallei | 0.19275 | -0.71501 | 13373 | 33 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Burkholderia pseudomallei A335-1 | 776.4395 | 2.8901 | dbspec-13-Mar-2023-12-34-35.273 | RKI ZBS2 |
| 2 | Burkholderia pseudomallei PITT 521 041206RR1059 | 708.8101 | 2.8505 | dbspec-13-Mar-2023-12-36-9.146 | Dr. Tomaso (FLI Jena) |
| 3 | Burkholderia pseudomallei 03 04448 251109RR8920 | 626.1187 | 2.7967 | dbspec-13-Mar-2023-12-33-32.921 | Dr. Tomaso (FLI Jena) |
| 4 | Burkholderia pseudomallei Heckeshorn 041206RR1061 | 618.7753 | 2.7915 | dbspec-13-Mar-2023-12-35-10.944 | Dr. Tomaso (FLI Jena) |
| 5 | Burkholderia pseudomallei 3463 | 597.0976 | 2.776 | dbspec-13-Mar-2023-12-35-3.898 | RKI ZBS6 |
| 6 | Burkholderia pseudomallei 10274 | 573.6714 | 2.7587 | dbspec-13-Mar-2023-12-34-58.71 | RKI ZBS6 |
| 7 | Burkholderia pseudomallei 03 04450 060406RR0740 | 557.0811 | 2.7459 | dbspec-13-Mar-2023-12-33-58.03 | Dr. Tomaso (FLI Jena) |
| 8 | Burkholderia pseudomallei CCUG 15649 | 544.2299 | 2.7358 | dbspec-13-Mar-2023-12-34-50.132 | RKI ZBS6 |
| 9 | Burkholderia pseudomallei CCUG 15651 | 542.2729 | 2.7342 | dbspec-13-Mar-2023-12-34-54.445 | RKI ZBS6 |
| 10 | Burkholderia pseudomallei CCUG 15648 | 542.2587 | 2.7342 | dbspec-13-Mar-2023-12-34-46.289 | RKI ZBS6 |
| 11 | Burkholderia thailandensis E153 | 534.328 | 2.7278 | dbspec-13-Mar-2023-12-43-24.09 | RKI ZBS6 |
| 12 | Burkholderia thailandensis E143 | 530.9122 | 2.725 | dbspec-13-Mar-2023-12-43-19.996 | RKI ZBS6 |
| 13 | Burkholderia mallei NCTC 10247 041206RR1056 | 526.7727 | 2.7216 | dbspec-13-Mar-2023-12-28-54.802 | Dr. Tomaso (FLI Jena) |
| 14 | Burkholderia thailandensis E184 | 525.8289 | 2.7208 | dbspec-13-Mar-2023-12-43-32.106 | RKI ZBS6 |
| 15 | Burkholderia mallei BfR M1 290103RR0043 | 524.6017 | 2.7198 | dbspec-13-Mar-2023-12-26-31.59 | Dr. Tomaso (FLI Jena) |
| 16 | Burkholderia mallei ATCC 23344 300102RR0118 | 523.3953 | 2.7188 | dbspec-13-Mar-2023-12-22-41.157 | Dr. Tomaso (FLI Jena) |
| 17 | Burkholderia thailandensis E131 | 521.9192 | 2.7176 | dbspec-13-Mar-2023-12-43-15.778 | RKI ZBS6 |
| 18 | Burkholderia thailandensis E049 | 521.6082 | 2.7173 | dbspec-13-Mar-2023-12-42-52.075 | RKI ZBS6 |
| 19 | Burkholderia pseudomallei ring trial A-269 01 A | 519.8388 | 2.7159 | dbspec-13-Mar-2023-12-33-29.89 | RKI ZBS2|ZBS6 |
| 20 | Burkholderia mallei BfR 242 300102RR0106 | 504.0388 | 2.7025 | dbspec-13-Mar-2023-12-24-37.295 | Dr. Tomaso (FLI Jena) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 01, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0001 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 28450 | |
| NCBI ID (secondary): | 28450 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Burkholderia pseudomallei A101-10: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T08:27:14.015+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_01/0_H4/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Burkholderia pseudomallei | 851.8834 | 2.9304 | 28450 | 20 |
| 2 | Burkholderia mallei | 0.71759 | -0.14412 | 13373 | 33 |
| 3 | Burkholderia thailandensis | 2.6874e-06 | -5.5707 | 57975 | 15 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Burkholderia pseudomallei A335-1 | 804.9022 | 2.9057 | dbspec-13-Mar-2023-12-34-35.273 | RKI ZBS2 |
| 2 | Burkholderia pseudomallei PITT 521 041206RR1059 | 736.7184 | 2.8673 | dbspec-13-Mar-2023-12-36-9.146 | Dr. Tomaso (FLI Jena) |
| 3 | Burkholderia pseudomallei Heckeshorn 041206RR1061 | 652.7795 | 2.8148 | dbspec-13-Mar-2023-12-35-10.944 | Dr. Tomaso (FLI Jena) |
| 4 | Burkholderia pseudomallei 03 04448 251109RR8920 | 624.8182 | 2.7958 | dbspec-13-Mar-2023-12-33-32.921 | Dr. Tomaso (FLI Jena) |
| 5 | Burkholderia pseudomallei CCUG 15648 | 605.2762 | 2.782 | dbspec-13-Mar-2023-12-34-46.289 | RKI ZBS6 |
| 6 | Burkholderia pseudomallei ring trial A-269 01 A | 594.8047 | 2.7744 | dbspec-13-Mar-2023-12-33-29.89 | RKI ZBS2|ZBS6 |
| 7 | Burkholderia pseudomallei 03 04450 060406RR0740 | 576.7976 | 2.761 | dbspec-13-Mar-2023-12-33-58.03 | Dr. Tomaso (FLI Jena) |
| 8 | Burkholderia pseudomallei CCUG 15649 | 572.1573 | 2.7575 | dbspec-13-Mar-2023-12-34-50.132 | RKI ZBS6 |
| 9 | Burkholderia pseudomallei CCUG 15651 | 570.2446 | 2.7561 | dbspec-13-Mar-2023-12-34-54.445 | RKI ZBS6 |
| 10 | Burkholderia pseudomallei 10274 | 566.0301 | 2.7528 | dbspec-13-Mar-2023-12-34-58.71 | RKI ZBS6 |
| 11 | Burkholderia pseudomallei 3463 | 565.5537 | 2.7525 | dbspec-13-Mar-2023-12-35-3.898 | RKI ZBS6 |
| 12 | Burkholderia mallei BfR 242 300102RR0106 | 560.6815 | 2.7487 | dbspec-13-Mar-2023-12-24-37.295 | Dr. Tomaso (FLI Jena) |
| 13 | Burkholderia mallei BfR 242 041206RR1050 | 560.1606 | 2.7483 | dbspec-13-Mar-2023-12-24-4.577 | Dr. Tomaso (FLI Jena) |
| 14 | Burkholderia mallei NCTC 10247 041206RR1056 | 555.6501 | 2.7448 | dbspec-13-Mar-2023-12-28-54.802 | Dr. Tomaso (FLI Jena) |
| 15 | Burkholderia mallei Dubai 7 | 552.5252 | 2.7424 | dbspec-13-Mar-2023-12-27-36.994 | Dr. Tomaso (FLI Jena) |
| 16 | Burkholderia mallei BfR M1 290103RR0043 | 552.274 | 2.7422 | dbspec-13-Mar-2023-12-26-31.59 | Dr. Tomaso (FLI Jena) |
| 17 | Burkholderia pseudomallei NCTC 1688 041206RR1062 | 552.1597 | 2.7421 | dbspec-13-Mar-2023-12-35-39.413 | Dr. Tomaso (FLI Jena) |
| 18 | Burkholderia mallei ATCC 23344 300102RR0118 | 551.2001 | 2.7413 | dbspec-13-Mar-2023-12-22-41.157 | Dr. Tomaso (FLI Jena) |
| 19 | Burkholderia thailandensis E184 | 550.187 | 2.7405 | dbspec-13-Mar-2023-12-43-32.106 | RKI ZBS6 |
| 20 | Burkholderia pseudomallei PITT 5691 041206RR1064 | 547.4006 | 2.7383 | dbspec-13-Mar-2023-12-36-28.661 | Dr. Tomaso (FLI Jena) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 02, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0002 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 119857 | |
| NCBI ID (secondary): | 119857 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Heart cysteine agar (HCA) | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Francisella tularensis ssp. holarctica Ft 32: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T14:04:41.578+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_02/0_H5/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Francisella tularensis ssp. holarctica | 892.6283 | 2.9507 | 119857 | 9 |
| 2 | Francisella tularensis ssp. tularensis | 3.3574 | 0.52601 | 119856 | 1 |
| 3 | Francisella tularensis ssp. mediasiatica | 1.4197 | 0.1522 | 135248 | 3 |
| 4 | Francisella tularensis ssp. novicida | 0.42396 | -0.37267 | 264 | 4 |
| 5 | Morganella morganii ssp. sibonii | 0.0043158 | -2.3649 | 180435 | 2 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Francisella tularensis ssp. holarctica 06T0001 | 840.9696 | 2.9248 | dbspec-13-Mar-2023-13-9-54.532 | Dr. Tomaso (FLI Jena) |
| 2 | Francisella tularensis ssp. holarctica A 1935-3 | 780.3155 | 2.8923 | dbspec-13-Mar-2023-13-10-51.952 | RKI ZBS2|ZBS6 |
| 3 | Francisella tularensis ssp. holarctica Gaisky | 760.7607 | 2.8812 | dbspec-13-Mar-2023-13-11-29.202 | Dr. Tomaso (FLI Jena) |
| 4 | Francisella tularensis ssp. holarctica A 1935-1 | 752.587 | 2.8766 | dbspec-13-Mar-2023-13-10-37.75 | RKI ZBS2|ZBS6 |
| 5 | Francisella tularensis ssp. holarctica W 1468 | 690.7737 | 2.8393 | dbspec-13-Mar-2023-13-13-2.34 | Dr. Tomaso (FLI Jena) |
| 6 | Francisella tularensis ssp. holarctica W 2903 | 681.3396 | 2.8334 | dbspec-13-Mar-2023-13-13-29.777 | Dr. Tomaso (FLI Jena) |
| 7 | Francisella tularensis ssp. holarctica Ft32, FSC 200 | 679.3812 | 2.8321 | dbspec-13-Mar-2023-13-11-14.499 | RKI ZBS2|ZBS6 |
| 8 | Francisella tularensis ssp. holarctica LVS | 675.0824 | 2.8294 | dbspec-13-Mar-2023-13-12-7.341 | Dr. Tomaso (FLI Jena) |
| 9 | Francisella tularensis ssp. holarctica A466-1 | 573.0931 | 2.7582 | dbspec-13-Mar-2023-13-11-6.921 | RKI ZBS2|ZBS6 |
| 10 | Francisella tularensis ssp. tularensis FSC 237 | 464.4837 | 2.667 | dbspec-13-Mar-2023-13-17-1.007 | Dr. Tomaso (FLI Jena) |
| 11 | Francisella tularensis ssp. mediasiatica Ft31, FSC 148 | 432.7493 | 2.6362 | dbspec-13-Mar-2023-13-15-14.415 | RKI ZBS2|ZBS6 |
| 12 | Francisella tularensis ssp. novicida F059 | 376.0886 | 2.5753 | dbspec-13-Mar-2023-13-16-4.664 | Dr. Tomaso (FLI Jena) |
| 13 | Francisella tularensis ssp. mediasiatica F063 | 358.0766 | 2.554 | dbspec-13-Mar-2023-13-14-0.979 | Dr. Tomaso (FLI Jena) |
| 14 | Francisella tularensis ssp. mediasiatica F064 | 356.7433 | 2.5524 | dbspec-13-Mar-2023-13-14-36.885 | Dr. Tomaso (FLI Jena) |
| 15 | Francisella tularensis ssp. novicida Ft26 | 338.0801 | 2.529 | dbspec-13-Mar-2023-13-16-52.913 | Dr. Tomaso (FLI Jena) |
| 16 | Morganella morganii ssp. sibonii DSM 6675 | 295.4453 | 2.4705 | dbspec-13-Mar-2023-13-24-44.075 | RKI ZBS6 |
| 17 | Francisella tularensis ssp. novicida F048 | 290.9115 | 2.4638 | dbspec-13-Mar-2023-13-15-25.009 | Dr. Tomaso (FLI Jena) |
| 18 | Morganella morganii ssp. morganii DSM 30164 | 289.228 | 2.4612 | dbspec-13-Mar-2023-13-24-32.809 | RKI ZBS6 |
| 19 | Francisella tularensis ssp. novicida Ring trial A-269 05 A | 278.7077 | 2.4451 | dbspec-13-Mar-2023-13-15-21.868 | RKI ZBS2|ZBS6 |
| 20 | Vibrio harveyi A2017 | 263.8506 | 2.4214 | dbspec-13-Mar-2023-13-57-43.844 | RKI ZBS6 |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 02, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0002 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 119857 | |
| NCBI ID (secondary): | 119857 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Heart cysteine agar (HCA) | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Francisella tularensis ssp. holarctica Ft 32: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T08:33:44.531+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_02/0_H6/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Francisella tularensis ssp. holarctica | 906.4706 | 2.9574 | 119857 | 9 |
| 2 | Francisella tularensis ssp. tularensis | 3.5888 | 0.55495 | 119856 | 1 |
| 3 | Francisella tularensis ssp. mediasiatica | 1.7255 | 0.23691 | 135248 | 3 |
| 4 | Francisella tularensis ssp. novicida | 0.15558 | -0.80805 | 264 | 4 |
| 5 | Morganella morganii ssp. sibonii | 0.0042203 | -2.3747 | 180435 | 2 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Francisella tularensis ssp. holarctica A 1935-3 | 835.3327 | 2.9219 | dbspec-13-Mar-2023-13-10-51.952 | RKI ZBS2|ZBS6 |
| 2 | Francisella tularensis ssp. holarctica Gaisky | 812.0346 | 2.9096 | dbspec-13-Mar-2023-13-11-29.202 | Dr. Tomaso (FLI Jena) |
| 3 | Francisella tularensis ssp. holarctica 06T0001 | 810.375 | 2.9087 | dbspec-13-Mar-2023-13-9-54.532 | Dr. Tomaso (FLI Jena) |
| 4 | Francisella tularensis ssp. holarctica A 1935-1 | 779.6302 | 2.8919 | dbspec-13-Mar-2023-13-10-37.75 | RKI ZBS2|ZBS6 |
| 5 | Francisella tularensis ssp. holarctica Ft32, FSC 200 | 758.7376 | 2.8801 | dbspec-13-Mar-2023-13-11-14.499 | RKI ZBS2|ZBS6 |
| 6 | Francisella tularensis ssp. holarctica W 1468 | 744.7473 | 2.872 | dbspec-13-Mar-2023-13-13-2.34 | Dr. Tomaso (FLI Jena) |
| 7 | Francisella tularensis ssp. holarctica LVS | 725.9574 | 2.8609 | dbspec-13-Mar-2023-13-12-7.341 | Dr. Tomaso (FLI Jena) |
| 8 | Francisella tularensis ssp. holarctica W 2903 | 704.5741 | 2.8479 | dbspec-13-Mar-2023-13-13-29.777 | Dr. Tomaso (FLI Jena) |
| 9 | Francisella tularensis ssp. holarctica A466-1 | 607.8238 | 2.7838 | dbspec-13-Mar-2023-13-11-6.921 | RKI ZBS2|ZBS6 |
| 10 | Francisella tularensis ssp. tularensis FSC 237 | 516.3485 | 2.7129 | dbspec-13-Mar-2023-13-17-1.007 | Dr. Tomaso (FLI Jena) |
| 11 | Francisella tularensis ssp. mediasiatica Ft31, FSC 148 | 460.6656 | 2.6634 | dbspec-13-Mar-2023-13-15-14.415 | RKI ZBS2|ZBS6 |
| 12 | Francisella tularensis ssp. mediasiatica F064 | 346.2853 | 2.5394 | dbspec-13-Mar-2023-13-14-36.885 | Dr. Tomaso (FLI Jena) |
| 13 | Francisella tularensis ssp. novicida F059 | 326.326 | 2.5137 | dbspec-13-Mar-2023-13-16-4.664 | Dr. Tomaso (FLI Jena) |
| 14 | Francisella tularensis ssp. mediasiatica F063 | 322.7376 | 2.5088 | dbspec-13-Mar-2023-13-14-0.979 | Dr. Tomaso (FLI Jena) |
| 15 | Francisella tularensis ssp. novicida Ft26 | 301.1785 | 2.4788 | dbspec-13-Mar-2023-13-16-52.913 | Dr. Tomaso (FLI Jena) |
| 16 | Morganella morganii ssp. sibonii DSM 6675 | 288.4519 | 2.4601 | dbspec-13-Mar-2023-13-24-44.075 | RKI ZBS6 |
| 17 | Morganella morganii ssp. morganii DSM 30164 | 282.4526 | 2.4509 | dbspec-13-Mar-2023-13-24-32.809 | RKI ZBS6 |
| 18 | Francisella tularensis ssp. novicida Ring trial A-269 05 A | 280.6476 | 2.4482 | dbspec-13-Mar-2023-13-15-21.868 | RKI ZBS2|ZBS6 |
| 19 | Francisella tularensis ssp. novicida F048 | 275.3769 | 2.4399 | dbspec-13-Mar-2023-13-15-25.009 | Dr. Tomaso (FLI Jena) |
| 20 | Klebsiella oxytoca CB4063 | 265.4786 | 2.424 | dbspec-13-Mar-2023-13-19-33.035 | RKI ZBS2|ZBS6 |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 03, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0003 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 36855 | |
| NCBI ID (secondary): | 36855 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Brucella canis A138-11: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T14:11:32.906+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_03/0_H7/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Brucella canis | 779.9962 | 2.8921 | 36855 | 5 |
| 2 | Brucella abortus | 110.182 | 2.0421 | 235 | 16 |
| 3 | Brucella melitensis | 31.9573 | 1.5046 | 29459 | 9 |
| 4 | Brucella neotomae | 0.082028 | -1.086 | 29460 | 3 |
| 5 | Brucella ovis | 0.0048968 | -2.3101 | 236 | 4 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Brucella canis A183-5 | 787.8713 | 2.8965 | dbspec-13-Mar-2023-11-50-6.184 | RKI ZBS2|ZBS6 |
| 2 | Brucella canis A446-3 | 717.3606 | 2.8557 | dbspec-13-Mar-2023-11-50-13.199 | RKI ZBS2 |
| 3 | Brucella canis 04 1 001 29 | 687.1424 | 2.837 | dbspec-13-Mar-2023-11-49-34.403 | Dr. Tomaso (FLI Jena) |
| 4 | Brucella abortus A104-10 | 682.9313 | 2.8344 | dbspec-13-Mar-2023-11-46-47.141 | RKI ZBS2 |
| 5 | Brucella canis R 6 66 03RB0214 3 | 672.009 | 2.8274 | dbspec-13-Mar-2023-11-50-20.215 | Dr. Tomaso (FLI Jena) |
| 6 | Brucella melitensis A146-13 | 643.6812 | 2.8087 | dbspec-13-Mar-2023-11-55-5.912 | RKI ZBS2 |
| 7 | Brucella abortus 2 Strain 86 8 59 | 627.5014 | 2.7976 | dbspec-13-Mar-2023-11-44-22.238 | Dr. Tomaso (FLI Jena) |
| 8 | Brucella abortus 5 Strain B3196 07RB1201 | 625.0283 | 2.7959 | dbspec-13-Mar-2023-11-45-16.503 | Dr. Tomaso (FLI Jena) |
| 9 | Brucella canis (BM385) | 621.5102 | 2.7934 | dbspec-13-Mar-2023-11-49-5.154 | TNO Netherlands |
| 10 | Brucella melitensis 02 2 021 14 | 617.8948 | 2.7909 | dbspec-13-Mar-2023-11-54-0.366 | Dr. Tomaso (FLI Jena) |
| 11 | Brucella abortus 9 Strain C68 07RB1203 | 599.053 | 2.7775 | dbspec-13-Mar-2023-11-46-15.283 | Dr. Tomaso (FLI Jena) |
| 12 | Brucella abortus 01 1 001 1 | 599.0212 | 2.7774 | dbspec-13-Mar-2023-11-43-0.256 | Dr. Tomaso (FLI Jena) |
| 13 | Brucella abortus Ring trial A-269 06 A | 595.9551 | 2.7752 | dbspec-13-Mar-2023-11-46-44.438 | RKI ZBS2|ZBS6 |
| 14 | Brucella neotomae A148-7 | 579.0704 | 2.7627 | dbspec-13-Mar-2023-11-58-50.844 | RKI ZBS2|ZBS6 |
| 15 | Brucella abortus S19 | 575.6401 | 2.7602 | dbspec-13-Mar-2023-11-47-19.344 | RKI FG14 |
| 16 | Brucella ovis 63 290 03RB0213 3 | 574.668 | 2.7594 | dbspec-13-Mar-2023-12-0-31.733 | Dr. Tomaso (FLI Jena) |
| 17 | Brucella abortus 6 Strain 870 07RB1202 | 568.42 | 2.7547 | dbspec-13-Mar-2023-11-45-47.658 | Dr. Tomaso (FLI Jena) |
| 18 | Brucella melitensis 02 1 014 10 | 564.5446 | 2.7517 | dbspec-13-Mar-2023-11-53-30.117 | Dr. Tomaso (FLI Jena) |
| 19 | Brucella sp. A 1755_25 | 564.1664 | 2.7514 | dbspec-13-Mar-2023-12-2-29.121 | RKI ZBS6 |
| 20 | Brucella melitensis 02 3 022 17 | 563.3816 | 2.7508 | dbspec-13-Mar-2023-11-54-33.584 | Dr. Tomaso (FLI Jena) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 03, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0003 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 36855 | |
| NCBI ID (secondary): | 36855 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Brucella canis A138-11: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T08:42:40.468+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_03/0_H8/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Brucella canis | 719.889 | 2.8573 | 36855 | 5 |
| 2 | Brucella abortus | 147.5041 | 2.1688 | 235 | 16 |
| 3 | Brucella melitensis | 49.5507 | 1.695 | 29459 | 9 |
| 4 | Brucella ovis | 0.54447 | -0.26403 | 236 | 4 |
| 5 | Brucella neotomae | 0.2386 | -0.62232 | 29460 | 3 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Brucella canis A183-5 | 788.5113 | 2.8968 | dbspec-13-Mar-2023-11-50-6.184 | RKI ZBS2|ZBS6 |
| 2 | Brucella canis A446-3 | 743.898 | 2.8715 | dbspec-13-Mar-2023-11-50-13.199 | RKI ZBS2 |
| 3 | Brucella abortus A104-10 | 681.7162 | 2.8336 | dbspec-13-Mar-2023-11-46-47.141 | RKI ZBS2 |
| 4 | Brucella canis 04 1 001 29 | 656.5417 | 2.8173 | dbspec-13-Mar-2023-11-49-34.403 | Dr. Tomaso (FLI Jena) |
| 5 | Brucella melitensis A146-13 | 644.7847 | 2.8094 | dbspec-13-Mar-2023-11-55-5.912 | RKI ZBS2 |
| 6 | Brucella canis R 6 66 03RB0214 3 | 643.1759 | 2.8083 | dbspec-13-Mar-2023-11-50-20.215 | Dr. Tomaso (FLI Jena) |
| 7 | Brucella canis (BM385) | 620.4677 | 2.7927 | dbspec-13-Mar-2023-11-49-5.154 | TNO Netherlands |
| 8 | Brucella abortus 9 Strain C68 07RB1203 | 600.4421 | 2.7785 | dbspec-13-Mar-2023-11-46-15.283 | Dr. Tomaso (FLI Jena) |
| 9 | Brucella abortus 5 Strain B3196 07RB1201 | 598.7329 | 2.7772 | dbspec-13-Mar-2023-11-45-16.503 | Dr. Tomaso (FLI Jena) |
| 10 | Brucella abortus 2 Strain 86 8 59 | 596.6854 | 2.7757 | dbspec-13-Mar-2023-11-44-22.238 | Dr. Tomaso (FLI Jena) |
| 11 | Brucella abortus Ring trial A-269 06 A | 596.5915 | 2.7757 | dbspec-13-Mar-2023-11-46-44.438 | RKI ZBS2|ZBS6 |
| 12 | Brucella ovis 63 290 03RB0213 3 | 583.7466 | 2.7662 | dbspec-13-Mar-2023-12-0-31.733 | Dr. Tomaso (FLI Jena) |
| 13 | Brucella neotomae A148-7 | 578.5517 | 2.7623 | dbspec-13-Mar-2023-11-58-50.844 | RKI ZBS2|ZBS6 |
| 14 | Brucella abortus 6 Strain 870 07RB1202 | 571.6227 | 2.7571 | dbspec-13-Mar-2023-11-45-47.658 | Dr. Tomaso (FLI Jena) |
| 15 | Brucella abortus 01 1 001 1 | 566.8622 | 2.7535 | dbspec-13-Mar-2023-11-43-0.256 | Dr. Tomaso (FLI Jena) |
| 16 | Brucella sp. A 1755_25 | 563.2655 | 2.7507 | dbspec-13-Mar-2023-12-2-29.121 | RKI ZBS6 |
| 17 | Brucella abortus 1 544 03RB0215 3 | 562.2413 | 2.7499 | dbspec-13-Mar-2023-11-43-30.255 | Dr. Tomaso (FLI Jena) |
| 18 | Brucella abortus biovar 3 (BM369) | 559.1115 | 2.7475 | dbspec-13-Mar-2023-11-48-3.374 | TNO Netherlands |
| 19 | Brucella abortus biovar 3 (BM382) | 558.7199 | 2.7472 | dbspec-13-Mar-2023-11-48-34.42 | TNO Netherlands |
| 20 | Brucella ovis A183-7 | 551.7987 | 2.7418 | dbspec-13-Mar-2023-12-0-52.686 | RKI ZBS2 |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 04, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_17_Maren_Stämmler_0001 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 1392 | |
| NCBI ID (secondary): | 1392 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Bacillus anthracis AMES: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-17T09:21:01.468+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_04/0_E19/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Bacillus anthracis | 861.8239 | 2.9354 | 1392 | 130 |
| 2 | Bacillus cereus | 0.53246 | -0.27371 | 1392.1 | 6 |
| 3 | n/a | 0 | -Inf | ||
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Bacillus anthracis ATCC 4229 (RKI) | 740.5404 | 2.8695 | dbspec-13-Mar-2023-10-24-3.44 | RKI ZBS2 |
| 2 | Bacillus anthracis unknown origin (A7, Beyer) | 740.1116 | 2.8693 | dbspec-13-Mar-2023-10-32-18.4 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 3 | Bacillus anthracis unknown origin (A9, Beyer) | 713.2792 | 2.8533 | dbspec-13-Mar-2023-10-33-14.227 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 4 | Bacillus anthracis unknown origin (A18, Beyer) | 712.1002 | 2.8525 | dbspec-13-Mar-2023-10-29-14.326 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 5 | Bacillus anthracis unknown origin (A27, Beyer) | 712.0405 | 2.8525 | dbspec-13-Mar-2023-10-29-46.404 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 6 | Bacillus anthracis Sterne vaccine (A118, Beyer) | 708.2244 | 2.8502 | dbspec-13-Mar-2023-10-24-54.204 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 7 | Bacillus anthracis unknown origin (A61, Beyer) | 707.4565 | 2.8497 | dbspec-13-Mar-2023-10-31-44.87 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 8 | Bacillus anthracis unknown origin (A10, Beyer) | 686.4696 | 2.8366 | dbspec-13-Mar-2023-10-26-50.642 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 9 | Bacillus anthracis unknown origin (A28, Beyer) | 686.3614 | 2.8366 | dbspec-13-Mar-2023-10-29-51.2 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 10 | Bacillus anthracis unknown origin (A73, Beyer) | 683.6095 | 2.8348 | dbspec-13-Mar-2023-10-32-23.963 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 11 | Bacillus anthracis unknown origin (A121, Beyer) | 683.2221 | 2.8346 | dbspec-13-Mar-2023-10-28-29.046 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 12 | Bacillus cereus DSM 8438 (B248, Beyer) | 682.588 | 2.8342 | dbspec-13-Mar-2023-10-41-8.42 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 13 | Bacillus anthracis unknown origin, black (A89, Beyer) | 680.9268 | 2.8331 | dbspec-13-Mar-2023-10-33-30.649 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 14 | Bacillus anthracis ATCC 14578 (A70, Beyer) | 679.5748 | 2.8322 | dbspec-13-Mar-2023-10-23-52.222 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 15 | Bacillus anthracis unknown origin (A62, Beyer) | 678.3569 | 2.8315 | dbspec-13-Mar-2023-10-31-50.057 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 16 | Bacillus anthracis unknown origin (A32, Beyer) | 676.6017 | 2.8303 | dbspec-13-Mar-2023-10-30-8.372 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 17 | Bacillus anthracis ATCC 14578 (A71, Beyer) | 676.5864 | 2.8303 | dbspec-13-Mar-2023-10-23-57.94 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 18 | Bacillus anthracis Sterne vaccine (A1, Beyer) | 675.2538 | 2.8295 | dbspec-13-Mar-2023-10-24-48.751 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 19 | Bacillus anthracis unknown origin (A35, Beyer) | 654.2616 | 2.8158 | dbspec-13-Mar-2023-10-30-25.434 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 20 | Bacillus anthracis unknown origin (A63, Beyer) | 653.8726 | 2.8155 | dbspec-13-Mar-2023-10-31-56.088 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 04, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0004 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 1392 | |
| NCBI ID (secondary): | 1392 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 25 mkL 100§ TFA, final TFA conc. approx. 80 perc.; 10 mkL 80 perc. TFA added; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Bacillus anthracis AMES: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T08:52:26.953+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_04/0_H10/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Bacillus anthracis | 832.7555 | 2.9205 | 1392 | 130 |
| 2 | Bacillus cereus s.l. | 1.1492 | 0.060379 | 86661 | 22 |
| 3 | Bacillus cereus | 3.0161e-06 | -5.5206 | 1392.1 | 6 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Bacillus anthracis unknown origin (A28, Beyer) | 688.8037 | 2.8381 | dbspec-13-Mar-2023-10-29-51.2 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 2 | Bacillus anthracis unknown origin (A36, Beyer) | 687.4709 | 2.8373 | dbspec-13-Mar-2023-10-30-31.199 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 3 | Bacillus anthracis unknown origin (A73, Beyer) | 682.8084 | 2.8343 | dbspec-13-Mar-2023-10-32-23.963 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 4 | Bacillus anthracis unknown origin (A18, Beyer) | 679.5772 | 2.8322 | dbspec-13-Mar-2023-10-29-14.326 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 5 | Bacillus anthracis unknown origin (A10, Beyer) | 661.0087 | 2.8202 | dbspec-13-Mar-2023-10-26-50.642 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 6 | Bacillus anthracis unknown origin (A16, Beyer) | 658.4765 | 2.8185 | dbspec-13-Mar-2023-10-29-8.514 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 7 | Bacillus anthracis ATCC 14185 (A2, Beyer) | 655.389 | 2.8165 | dbspec-13-Mar-2023-10-23-50.753 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 8 | Bacillus anthracis unknown origin (A9, Beyer) | 653.1382 | 2.815 | dbspec-13-Mar-2023-10-33-14.227 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 9 | Bacillus anthracis unknown origin (A32, Beyer) | 651.8541 | 2.8142 | dbspec-13-Mar-2023-10-30-8.372 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 10 | Bacillus anthracis unknown origin (A7, Beyer) | 650.6419 | 2.8133 | dbspec-13-Mar-2023-10-32-18.4 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 11 | Bacillus cereus s.l. unknown origin (B340, Beyer) | 646.5814 | 2.8106 | dbspec-13-Mar-2023-10-48-12.577 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 12 | Bacillus anthracis unknown origin (A5, Beyer) | 631.8379 | 2.8006 | dbspec-13-Mar-2023-10-31-22.823 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 13 | Bacillus anthracis ATCC 14578 (A70, Beyer) | 626.2732 | 2.7968 | dbspec-13-Mar-2023-10-23-52.222 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 14 | Bacillus anthracis unknown origin (A3, Beyer) | 626.0613 | 2.7966 | dbspec-13-Mar-2023-10-30-2.45 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 15 | Bacillus anthracis unknown origin (A63, Beyer) | 624.9427 | 2.7958 | dbspec-13-Mar-2023-10-31-56.088 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 16 | Bacillus anthracis unknown origin (A113, Beyer) | 624.3461 | 2.7954 | dbspec-13-Mar-2023-10-28-10.734 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 17 | Bacillus anthracis Sterne vaccine (A1, Beyer) | 623.689 | 2.795 | dbspec-13-Mar-2023-10-24-48.751 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 18 | Bacillus anthracis unknown origin (A27, Beyer) | 623.3698 | 2.7947 | dbspec-13-Mar-2023-10-29-46.404 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 19 | Bacillus cereus DSM 8438 (B248, Beyer) | 623.0506 | 2.7945 | dbspec-13-Mar-2023-10-41-8.42 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 20 | Bacillus anthracis unknown origin, black (A89, Beyer) | 621.8479 | 2.7937 | dbspec-13-Mar-2023-10-33-30.649 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 04, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0004 | |
| type: | Measurement 03 | |
| NCBI ID (primary): | 1392 | |
| NCBI ID (secondary): | 1392 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 25 mkL 100§ TFA, final TFA conc. approx. 80 perc.; 10 mkL 80 perc. TFA added; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Bacillus anthracis AMES: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T14:19:29.671+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_04/0_H9/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Bacillus anthracis | 868.7979 | 2.9389 | 1392 | 130 |
| 2 | Bacillus cereus | 2.6483 | 0.42297 | 1392.1 | 6 |
| 3 | n/a | 0 | -Inf | ||
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Bacillus anthracis unknown origin (A61, Beyer) | 764.7919 | 2.8835 | dbspec-13-Mar-2023-10-31-44.87 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 2 | Bacillus anthracis unknown origin (A27, Beyer) | 739.338 | 2.8688 | dbspec-13-Mar-2023-10-29-46.404 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 3 | Bacillus anthracis ATCC 4229 (RKI) | 739.3352 | 2.8688 | dbspec-13-Mar-2023-10-24-3.44 | RKI ZBS2 |
| 4 | Bacillus anthracis unknown origin (A7, Beyer) | 738.867 | 2.8686 | dbspec-13-Mar-2023-10-32-18.4 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 5 | Bacillus anthracis unknown origin (A9, Beyer) | 710.8349 | 2.8518 | dbspec-13-Mar-2023-10-33-14.227 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 6 | Bacillus anthracis unknown origin (A73, Beyer) | 709.1301 | 2.8507 | dbspec-13-Mar-2023-10-32-23.963 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 7 | Bacillus anthracis Sterne vaccine (A1, Beyer) | 703.7227 | 2.8474 | dbspec-13-Mar-2023-10-24-48.751 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 8 | Bacillus anthracis animal (A131, Beyer) | 700.1587 | 2.8452 | dbspec-13-Mar-2023-10-25-34.237 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 9 | Bacillus anthracis unknown origin (A28, Beyer) | 684.4259 | 2.8353 | dbspec-13-Mar-2023-10-29-51.2 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 10 | Bacillus cereus DSM 8438 (B248, Beyer) | 681.0153 | 2.8332 | dbspec-13-Mar-2023-10-41-8.42 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 11 | Bacillus anthracis unknown origin (A18, Beyer) | 679.5295 | 2.8322 | dbspec-13-Mar-2023-10-29-14.326 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 12 | Bacillus anthracis unknown origin (A3, Beyer) | 678.3031 | 2.8314 | dbspec-13-Mar-2023-10-30-2.45 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 13 | Bacillus anthracis unknown origin, black (A89, Beyer) | 677.9352 | 2.8312 | dbspec-13-Mar-2023-10-33-30.649 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 14 | Bacillus anthracis ATCC 14578 (A70, Beyer) | 677.3211 | 2.8308 | dbspec-13-Mar-2023-10-23-52.222 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 15 | Bacillus anthracis unknown origin (A63, Beyer) | 677.0518 | 2.8306 | dbspec-13-Mar-2023-10-31-56.088 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 16 | Bacillus anthracis unknown origin (A106, Beyer) | 676.5292 | 2.8303 | dbspec-13-Mar-2023-10-27-17.235 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 17 | Bacillus anthracis ATCC 14578 (A71, Beyer) | 675.3175 | 2.8295 | dbspec-13-Mar-2023-10-23-57.94 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 18 | Bacillus anthracis unknown origin (A107, Beyer) | 675.0884 | 2.8294 | dbspec-13-Mar-2023-10-27-22.469 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 19 | Bacillus anthracis unknown origin (A38, Beyer) | 672.679 | 2.8278 | dbspec-13-Mar-2023-10-30-38.418 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 20 | Bacillus anthracis unknown origin (A62, Beyer) | 671.9918 | 2.8274 | dbspec-13-Mar-2023-10-31-50.057 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 05, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0005 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 529 | |
| NCBI ID (secondary): | 529 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Ochrobactrum anthropi A-148-11: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T14:25:30.359+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_05/0_H11/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Ochrobactrum anthropi | 863.9247 | 2.9365 | 529 | 2 |
| 2 | Brucella intermedia | 150.8643 | 2.1786 | 94625 | 1 |
| 3 | Burkholderia plantarii | 74.7937 | 1.8739 | 41899 | 2 |
| 4 | Brucella inopinata | 36.5417 | 1.5628 | 1218315 | 1 |
| 5 | Brucella abortus | 13.8185 | 1.1405 | 235 | 16 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Ochrobactrum anthropi DSM 20150, ATCC 11425 | 741.69 | 2.8702 | dbspec-13-Mar-2023-13-25-52.917 | RKI ZBS6 |
| 2 | Ochrobactrum anthropi Ring trial A-269 08 A | 715.2071 | 2.8544 | dbspec-13-Mar-2023-13-25-50.058 | RKI ZBS2|ZBS6 |
| 3 | Brucella intermedia A1309 | 382.801 | 2.583 | dbspec-13-Mar-2023-11-53-15.664 | RKI ZBS6 |
| 4 | Burkholderia plantarii LMG 9035 | 243.3548 | 2.3862 | dbspec-13-Mar-2023-12-33-26.031 | RKI ZBS2|ZBS6 |
| 5 | Brucella inopinata 10 1 001 44 | 230.3043 | 2.3623 | dbspec-13-Mar-2023-11-52-46.337 | Dr. Tomaso (FLI Jena) |
| 6 | Brucella abortus 1 544 03RB0215 3 | 225.4067 | 2.353 | dbspec-13-Mar-2023-11-43-30.255 | Dr. Tomaso (FLI Jena) |
| 7 | Burkholderia plantarii LMG 10907 | 215.0188 | 2.3325 | dbspec-13-Mar-2023-12-33-22.078 | RKI ZBS2|ZBS6 |
| 8 | Enterococcus faecium UW5909 (vanA) | 213.9141 | 2.3302 | dbspec-13-Mar-2023-13-1-30.605 | RKI ZBS6 |
| 9 | Burkholderia cenocepacia LMG 16654 | 213.0694 | 2.3285 | dbspec-13-Mar-2023-12-11-36.547 | RKI ZBS6 |
| 10 | Brucella abortus NCTC 10503 07RB1200, ATCC 23451 | 212.4545 | 2.3273 | dbspec-13-Mar-2023-11-46-54.219 | Dr. Tomaso (FLI Jena) |
| 11 | Enterococcus faecium AK-EM28 (ST22) | 211.2114 | 2.3247 | dbspec-13-Mar-2023-13-4-10.695 | RKI ZBS6 |
| 12 | Enterococcus faecium UW1328 | 211.1488 | 2.3246 | dbspec-13-Mar-2023-13-5-33.256 | RKI ZBS6 |
| 13 | Stenotrophomonas maltophilia Sm 132 | 205.4251 | 2.3127 | dbspec-13-Mar-2023-13-49-3.824 | RKI ZBS6 |
| 14 | Stenotrophomonas maltophilia Sm 131 | 201.6704 | 2.3046 | dbspec-13-Mar-2023-13-49-1.715 | RKI ZBS6 |
| 15 | Stenotrophomonas maltophilia Sm 20|06 | 200.5695 | 2.3023 | dbspec-13-Mar-2023-13-49-5.824 | RKI ZBS6 |
| 16 | Stenotrophomonas maltophilia DSM 50170(T) | 199.2529 | 2.2994 | dbspec-13-Mar-2023-13-48-53.981 | RKI ZBS6 |
| 17 | Stenotrophomonas maltophilia Sm 51 | 199.0626 | 2.299 | dbspec-13-Mar-2023-13-49-16.433 | RKI ZBS6 |
| 18 | Brucella vulpis DSM 101715 | 197.6521 | 2.2959 | dbspec-13-Mar-2023-12-6-18.116 | RKI ZBS6 |
| 19 | Brucella sp. 83-13 | 197.1536 | 2.2948 | dbspec-13-Mar-2023-12-2-8.512 | RKI FG14 |
| 20 | Francisella orientalis DSM 21254, LMG 24544 | 194.8232 | 2.2896 | dbspec-13-Mar-2023-13-9-17.626 | RKI ZBS6 |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 05, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0005 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 529 | |
| NCBI ID (secondary): | 529 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Ochrobactrum anthropi A-148-11: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T09:00:58.531+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_05/0_H12/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Ochrobactrum anthropi | 835.4138 | 2.9219 | 529 | 2 |
| 2 | Brucella intermedia | 141.8669 | 2.1519 | 94625 | 1 |
| 3 | Brucella abortus | 49.0663 | 1.6908 | 235 | 16 |
| 4 | Brucella vulpis | 36.8811 | 1.5668 | 981386 | 1 |
| 5 | Brucella ovis | 7.9254 | 0.89902 | 236 | 4 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Ochrobactrum anthropi DSM 20150, ATCC 11425 | 685.0486 | 2.8357 | dbspec-13-Mar-2023-13-25-52.917 | RKI ZBS6 |
| 2 | Ochrobactrum anthropi Ring trial A-269 08 A | 683.8332 | 2.835 | dbspec-13-Mar-2023-13-25-50.058 | RKI ZBS2|ZBS6 |
| 3 | Brucella intermedia A1309 | 353.3501 | 2.5482 | dbspec-13-Mar-2023-11-53-15.664 | RKI ZBS6 |
| 4 | Brucella abortus 1 544 03RB0215 3 | 233.6293 | 2.3685 | dbspec-13-Mar-2023-11-43-30.255 | Dr. Tomaso (FLI Jena) |
| 5 | Brucella vulpis DSM 101715 | 232.0958 | 2.3657 | dbspec-13-Mar-2023-12-6-18.116 | RKI ZBS6 |
| 6 | Brucella abortus NCTC 10503 07RB1200, ATCC 23451 | 222.5444 | 2.3474 | dbspec-13-Mar-2023-11-46-54.219 | Dr. Tomaso (FLI Jena) |
| 7 | Brucella ovis 63 290 03RB0213 3 | 211.5089 | 2.3253 | dbspec-13-Mar-2023-12-0-31.733 | Dr. Tomaso (FLI Jena) |
| 8 | Brucella canis R 6 66 03RB0214 3 | 211.4169 | 2.3251 | dbspec-13-Mar-2023-11-50-20.215 | Dr. Tomaso (FLI Jena) |
| 9 | Enterococcus faecium UBA8.6 | 211.4148 | 2.3251 | dbspec-13-Mar-2023-13-5-21.881 | RKI ZBS6 |
| 10 | Ralstonia mannitolilytica DSM 17512, LMG 6866 | 211.3225 | 2.3249 | dbspec-13-Mar-2023-13-35-28.326 | RKI ZBS6 |
| 11 | Brucella sp. 83-13 | 210.3665 | 2.323 | dbspec-13-Mar-2023-12-2-8.512 | RKI FG14 |
| 12 | Burkholderia plantarii LMG 9035 | 206.683 | 2.3153 | dbspec-13-Mar-2023-12-33-26.031 | RKI ZBS2|ZBS6 |
| 13 | Brucella inopinata 10 1 001 44 | 204.7909 | 2.3113 | dbspec-13-Mar-2023-11-52-46.337 | Dr. Tomaso (FLI Jena) |
| 14 | Brucella melitensis 02 3 022 17 | 204.7465 | 2.3112 | dbspec-13-Mar-2023-11-54-33.584 | Dr. Tomaso (FLI Jena) |
| 15 | Brucella melitensis 02 2 021 14 | 203.2183 | 2.308 | dbspec-13-Mar-2023-11-54-0.366 | Dr. Tomaso (FLI Jena) |
| 16 | Brucella canis (BM385) | 202.24 | 2.3059 | dbspec-13-Mar-2023-11-49-5.154 | TNO Netherlands |
| 17 | Brucella abortus 1 EQADeBa 09RB8922 | 200.8003 | 2.3028 | dbspec-13-Mar-2023-11-43-55.551 | Dr. Tomaso (FLI Jena) |
| 18 | Brucella abortus 01 1 001 1 | 199.5683 | 2.3001 | dbspec-13-Mar-2023-11-43-0.256 | Dr. Tomaso (FLI Jena) |
| 19 | Brucella sp. A 1755_28 | 199.0689 | 2.299 | dbspec-13-Mar-2023-12-2-58.167 | RKI ZBS6 |
| 20 | Francisella orientalis DSM 21254, LMG 24544 | 196.5848 | 2.2935 | dbspec-13-Mar-2023-13-9-17.626 | RKI ZBS6 |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 06, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0006 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 633 | |
| NCBI ID (secondary): | 633 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Yersinia pseudotuberculosis III: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T14:36:26.328+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_06/0_H13/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Yersinia pseudotuberculosis | 794.5985 | 2.9001 | 633 | 24 |
| 2 | Yersinia pestis | 66.4509 | 1.8225 | 632 | 11 |
| 3 | Yersinia pestis | 0.19175 | -0.71725 | 632.1 | 8 |
| 4 | Yersinia similis | 0.00011974 | -3.9218 | 367190 | 2 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Yersinia pseudotuberculosis 29827 | 796.898 | 2.9014 | dbspec-13-Mar-2023-14-9-22.061 | RKI ZBS6 |
| 2 | Yersinia pseudotuberculosis 29490 | 719.2671 | 2.8569 | dbspec-13-Mar-2023-14-9-18.155 | RKI ZBS6 |
| 3 | Yersinia pseudotuberculosis 25743 | 693.0166 | 2.8407 | dbspec-13-Mar-2023-14-8-54.906 | RKI ZBS6 |
| 4 | Yersinia pseudotuberculosis VI | 676.1346 | 2.83 | dbspec-13-Mar-2023-14-9-54.107 | RKI ZBS6 |
| 5 | Yersinia pestis NCTC 2028 | 651.2986 | 2.8138 | dbspec-13-Mar-2023-14-6-48.998 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 6 | Yersinia pseudotuberculosis DSM 22972 | 645.9469 | 2.8102 | dbspec-13-Mar-2023-14-9-34.53 | RKI ZBS6 |
| 7 | Yersinia pestis NCTC 10030 | 636.4149 | 2.8037 | dbspec-13-Mar-2023-14-6-21.467 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 8 | Yersinia pseudotuberculosis J9 | 635.133 | 2.8029 | dbspec-13-Mar-2023-14-9-25.936 | RKI ZBS6 |
| 9 | Yersinia pseudotuberculosis 07PW12234 | 634.6433 | 2.8025 | dbspec-13-Mar-2023-14-8-45.968 | RKI ZBS6 |
| 10 | Yersinia pseudotuberculosis 25858 | 633.7922 | 2.8019 | dbspec-13-Mar-2023-14-8-58.843 | RKI ZBS6 |
| 11 | Yersinia pseudotuberculosis 27705 | 633.6207 | 2.8018 | dbspec-13-Mar-2023-14-9-2.624 | RKI ZBS6 |
| 12 | Yersinia pseudotuberculosis 27707 | 630.2236 | 2.7995 | dbspec-13-Mar-2023-14-9-6.702 | RKI ZBS6 |
| 13 | Yersinia pestis RV 3 | 626.556 | 2.797 | dbspec-13-Mar-2023-14-8-16.344 | RKI ZBS6 |
| 14 | Yersinia pseudotuberculosis 28928 | 623.4508 | 2.7948 | dbspec-13-Mar-2023-14-9-14.421 | RKI ZBS6 |
| 15 | Yersinia pestis NCTC 2868 | 618.8783 | 2.7916 | dbspec-13-Mar-2023-14-7-2.388 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 16 | Yersinia pestis NCTC 5923, ATCC 19428 | 607.5134 | 2.7836 | dbspec-13-Mar-2023-14-7-33.278 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 17 | Yersinia pestis NCTC 570 | 598.9738 | 2.7774 | dbspec-13-Mar-2023-14-7-15.294 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 18 | Yersinia similis DSM 18211, LMG 23763, CCUG 52882 | 598.5899 | 2.7771 | dbspec-13-Mar-2023-14-10-30.841 | CVUA Stuttgart |
| 19 | Yersinia pseudotuberculosis 06PW40285 | 592.0495 | 2.7724 | dbspec-13-Mar-2023-14-8-36.75 | RKI ZBS6 |
| 20 | Yersinia pseudotuberculosis DSM 8992, ATCC 29833, NCTC 10275, CIP 55.85 | 588.056 | 2.7694 | dbspec-13-Mar-2023-14-9-39.326 | RKI ZBS6 |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 06, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0006 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 633 | |
| NCBI ID (secondary): | 633 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Yersinia pseudotuberculosis III: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T09:22:37.468+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_06/0_H14/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Yersinia pseudotuberculosis | 865.5884 | 2.9373 | 633 | 24 |
| 2 | Yersinia pestis | 9.9598 | 0.99825 | 632.1 | 8 |
| 3 | Yersinia pestis | 0.19569 | -0.70843 | 632 | 11 |
| 4 | Yersinia similis | 1.8785e-08 | -7.7262 | 367190 | 2 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Yersinia pseudotuberculosis 29827 | 767.2482 | 2.8849 | dbspec-13-Mar-2023-14-9-22.061 | RKI ZBS6 |
| 2 | Yersinia pseudotuberculosis VI | 765.9971 | 2.8842 | dbspec-13-Mar-2023-14-9-54.107 | RKI ZBS6 |
| 3 | Yersinia pseudotuberculosis 29490 | 746.2318 | 2.8729 | dbspec-13-Mar-2023-14-9-18.155 | RKI ZBS6 |
| 4 | Yersinia pseudotuberculosis 25743 | 719.6897 | 2.8571 | dbspec-13-Mar-2023-14-8-54.906 | RKI ZBS6 |
| 5 | Yersinia pseudotuberculosis J9 | 716.6859 | 2.8553 | dbspec-13-Mar-2023-14-9-25.936 | RKI ZBS6 |
| 6 | Yersinia pseudotuberculosis 27707 | 715.994 | 2.8549 | dbspec-13-Mar-2023-14-9-6.702 | RKI ZBS6 |
| 7 | Yersinia pseudotuberculosis 07PW12234 | 713.0691 | 2.8531 | dbspec-13-Mar-2023-14-8-45.968 | RKI ZBS6 |
| 8 | Yersinia pestis RV 3 | 710.1778 | 2.8514 | dbspec-13-Mar-2023-14-8-16.344 | RKI ZBS6 |
| 9 | Yersinia pseudotuberculosis 27705 | 692.0613 | 2.8401 | dbspec-13-Mar-2023-14-9-2.624 | RKI ZBS6 |
| 10 | Yersinia pseudotuberculosis 25858 | 688.5772 | 2.838 | dbspec-13-Mar-2023-14-8-58.843 | RKI ZBS6 |
| 11 | Yersinia pseudotuberculosis 06PW40285 | 673.9136 | 2.8286 | dbspec-13-Mar-2023-14-8-36.75 | RKI ZBS6 |
| 12 | Yersinia pseudotuberculosis Typ3 P- INV+ | 665.4429 | 2.8231 | dbspec-13-Mar-2023-14-9-50.326 | RKI ZBS6 |
| 13 | Yersinia pestis NCTC 10030 | 663.7452 | 2.822 | dbspec-13-Mar-2023-14-6-21.467 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 14 | Yersinia pseudotuberculosis 28928 | 650.7801 | 2.8134 | dbspec-13-Mar-2023-14-9-14.421 | RKI ZBS6 |
| 15 | Yersinia pseudotuberculosis Ring trial A-269 04 B | 648.9662 | 2.8122 | dbspec-13-Mar-2023-14-9-30.061 | RKI ZBS2|ZBS6 |
| 16 | Yersinia pseudotuberculosis DSM 22972 | 644.9111 | 2.8095 | dbspec-13-Mar-2023-14-9-34.53 | RKI ZBS6 |
| 17 | Yersinia pseudotuberculosis DSM 8992, ATCC 29833, NCTC 10275, CIP 55.85 | 644.6554 | 2.8093 | dbspec-13-Mar-2023-14-9-39.326 | RKI ZBS6 |
| 18 | Yersinia pseudotuberculosis I | 643.2043 | 2.8083 | dbspec-13-Mar-2023-14-9-46.529 | RKI ZBS6 |
| 19 | Yersinia pseudotuberculosis 04PA01423 | 636.3179 | 2.8037 | dbspec-13-Mar-2023-14-8-17.969 | RKI ZBS6 |
| 20 | Yersinia similis IMB 4354 | 630.8498 | 2.7999 | dbspec-13-Mar-2023-14-10-51.809 | Prof. Fuchs (ZIEL, Munich) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 07, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0007 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 13373 | |
| NCBI ID (secondary): | 13373 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Burkholderia mallei A106-3: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T14:39:43.625+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_07/0_H15/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Burkholderia mallei | 823.1333 | 2.9155 | 13373 | 33 |
| 2 | Burkholderia pseudomallei | 7.5881e-05 | -4.1199 | 28450 | 20 |
| 3 | n/a | 0 | -Inf | ||
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Burkholderia mallei Mukteswar 290103RR0041 | 699.7849 | 2.845 | dbspec-13-Mar-2023-12-21-5.206 | Dr. Tomaso (FLI Jena) |
| 2 | Burkholderia mallei 3708 | 659.6933 | 2.8193 | dbspec-13-Mar-2023-12-27-35.323 | RKI ZBS6 |
| 3 | Burkholderia mallei Dubai 7 | 650.3409 | 2.8131 | dbspec-13-Mar-2023-12-27-36.994 | Dr. Tomaso (FLI Jena) |
| 4 | Burkholderia mallei Dubai 7 240609RR5318 | 643.1621 | 2.8083 | dbspec-13-Mar-2023-12-20-29.769 | Dr. Tomaso (FLI Jena) |
| 5 | Burkholderia mallei ATCC 23344 | 632.5265 | 2.8011 | dbspec-13-Mar-2023-12-21-57.596 | RKI ZBS6 |
| 6 | Burkholderia mallei BfR M1 290103RR0043 | 617.6222 | 2.7907 | dbspec-13-Mar-2023-12-26-31.59 | Dr. Tomaso (FLI Jena) |
| 7 | Burkholderia mallei ATCC 23344 300102RR0118 | 617.2581 | 2.7905 | dbspec-13-Mar-2023-12-22-41.157 | Dr. Tomaso (FLI Jena) |
| 8 | Burkholderia mallei BfR 237 061102RR0551 | 616.4499 | 2.7899 | dbspec-13-Mar-2023-12-23-35.562 | Dr. Tomaso (FLI Jena) |
| 9 | Burkholderia mallei ATCC 23344 251109RR8925 | 615.4124 | 2.7892 | dbspec-13-Mar-2023-12-22-6.064 | Dr. Tomaso (FLI Jena) |
| 10 | Burkholderia mallei type strain | 614.3949 | 2.7884 | dbspec-13-Mar-2023-12-31-17.112 | Dr. Tomaso (FLI Jena) |
| 11 | Burkholderia mallei NCTC 10260 041206RR1051 | 614.174 | 2.7883 | dbspec-13-Mar-2023-12-29-19.364 | Dr. Tomaso (FLI Jena) |
| 12 | Burkholderia mallei BfR 34 281002RR0518 | 613.5107 | 2.7878 | dbspec-13-Mar-2023-12-25-35.356 | Dr. Tomaso (FLI Jena) |
| 13 | Burkholderia mallei NCTC 10247 041206RR1056 | 612.6771 | 2.7872 | dbspec-13-Mar-2023-12-28-54.802 | Dr. Tomaso (FLI Jena) |
| 14 | Burkholderia mallei Zagreb 080304RR0090 | 611.8271 | 2.7866 | dbspec-13-Mar-2023-12-21-33.94 | Dr. Tomaso (FLI Jena) |
| 15 | Burkholderia mallei Bogor 211101RR0419 | 611.6958 | 2.7865 | dbspec-13-Mar-2023-12-20-7.035 | Dr. Tomaso (FLI Jena) |
| 16 | Burkholderia mallei BfR M1 040203RR0053 | 611.517 | 2.7864 | dbspec-13-Mar-2023-12-26-2.246 | Dr. Tomaso (FLI Jena) |
| 17 | Burkholderia mallei NCTC 120 Lister 041206RR1055 | 610.9017 | 2.786 | dbspec-13-Mar-2023-12-29-46.989 | Dr. Tomaso (FLI Jena) |
| 18 | Burkholderia pseudomallei ring trial A-269 01 A | 610.1186 | 2.7854 | dbspec-13-Mar-2023-12-33-29.89 | RKI ZBS2|ZBS6 |
| 19 | Burkholderia pseudomallei 11642 | 597.8363 | 2.7766 | dbspec-13-Mar-2023-12-35-0.476 | RKI ZBS6 |
| 20 | Burkholderia pseudomallei 03 04450 060406RR0740 | 585.5559 | 2.7676 | dbspec-13-Mar-2023-12-33-58.03 | Dr. Tomaso (FLI Jena) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 07, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0007 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 13373 | |
| NCBI ID (secondary): | 13373 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Burkholderia mallei A106-3: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T09:30:51.015+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_07/0_H16/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Burkholderia mallei | 781.4591 | 2.8929 | 13373 | 33 |
| 2 | Burkholderia pseudomallei | 48.9573 | 1.6898 | 28450 | 20 |
| 3 | n/a | 0 | -Inf | ||
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Burkholderia mallei Mukteswar 290103RR0041 | 714.3034 | 2.8539 | dbspec-13-Mar-2023-12-21-5.206 | Dr. Tomaso (FLI Jena) |
| 2 | Burkholderia mallei Dubai 7 | 678.1305 | 2.8313 | dbspec-13-Mar-2023-12-27-36.994 | Dr. Tomaso (FLI Jena) |
| 3 | Burkholderia mallei 3708 | 657.8465 | 2.8181 | dbspec-13-Mar-2023-12-27-35.323 | RKI ZBS6 |
| 4 | Burkholderia mallei type strain | 640.4469 | 2.8065 | dbspec-13-Mar-2023-12-31-17.112 | Dr. Tomaso (FLI Jena) |
| 5 | Burkholderia pseudomallei ring trial A-269 01 A | 636.8895 | 2.8041 | dbspec-13-Mar-2023-12-33-29.89 | RKI ZBS2|ZBS6 |
| 6 | Burkholderia mallei ATCC 23344 | 635.6783 | 2.8032 | dbspec-13-Mar-2023-12-21-57.596 | RKI ZBS6 |
| 7 | Burkholderia mallei ATCC 23344 300102RR0118 | 614.6219 | 2.7886 | dbspec-13-Mar-2023-12-22-41.157 | Dr. Tomaso (FLI Jena) |
| 8 | Burkholderia mallei BfR M1 290103RR0043 | 614.4376 | 2.7885 | dbspec-13-Mar-2023-12-26-31.59 | Dr. Tomaso (FLI Jena) |
| 9 | Burkholderia mallei BfR 237 061102RR0551 | 613.7286 | 2.788 | dbspec-13-Mar-2023-12-23-35.562 | Dr. Tomaso (FLI Jena) |
| 10 | Burkholderia mallei Dubai 7 240609RR5318 | 613.582 | 2.7879 | dbspec-13-Mar-2023-12-20-29.769 | Dr. Tomaso (FLI Jena) |
| 11 | Burkholderia mallei NCTC 10260 041206RR1051 | 611.235 | 2.7862 | dbspec-13-Mar-2023-12-29-19.364 | Dr. Tomaso (FLI Jena) |
| 12 | Burkholderia mallei BfR 34 281002RR0518 | 610.7558 | 2.7859 | dbspec-13-Mar-2023-12-25-35.356 | Dr. Tomaso (FLI Jena) |
| 13 | Burkholderia mallei NCTC 10247 041206RR1056 | 610.5564 | 2.7857 | dbspec-13-Mar-2023-12-28-54.802 | Dr. Tomaso (FLI Jena) |
| 14 | Burkholderia mallei BfR M1 040203RR0053 | 609.7706 | 2.7852 | dbspec-13-Mar-2023-12-26-2.246 | Dr. Tomaso (FLI Jena) |
| 15 | Burkholderia mallei Bogor 211101RR0419 | 609.3547 | 2.7849 | dbspec-13-Mar-2023-12-20-7.035 | Dr. Tomaso (FLI Jena) |
| 16 | Burkholderia mallei NCTC 120 Lister 041206RR1055 | 607.9727 | 2.7839 | dbspec-13-Mar-2023-12-29-46.989 | Dr. Tomaso (FLI Jena) |
| 17 | Burkholderia pseudomallei A333-1 | 605.2286 | 2.7819 | dbspec-13-Mar-2023-12-34-28.195 | RKI ZBS2 |
| 18 | Burkholderia mallei Bogur | 600.3241 | 2.7784 | dbspec-13-Mar-2023-12-27-23.042 | RKI ZBS6 |
| 19 | Burkholderia mallei Zagreb | 596.667 | 2.7757 | dbspec-13-Mar-2023-12-30-45.425 | RKI ZBS6 |
| 20 | Burkholderia pseudomallei NCTC 1688 041206RR1062 | 591.3938 | 2.7719 | dbspec-13-Mar-2023-12-35-39.413 | Dr. Tomaso (FLI Jena) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 08, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_17_Maren_Stämmler_0002 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 57975 | |
| NCBI ID (secondary): | 57975 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 30 mkL 100§ TFA, final TFA conc. approx. 80 perc.; 10 mkL 80 perc. TFA added; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Burkholderia thailandensis E125: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-17T09:23:57.843+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_08/0_E20/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Burkholderia thailandensis | 816.5874 | 2.912 | 57975 | 15 |
| 2 | Burkholderia pseudomallei | 0.0040263 | -2.3951 | 28450 | 20 |
| 3 | n/a | 0 | -Inf | ||
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Burkholderia thailandensis E163 | 669.789 | 2.8259 | dbspec-13-Mar-2023-12-43-28.137 | RKI ZBS6 |
| 2 | Burkholderia thailandensis E125 | 668.1066 | 2.8248 | dbspec-13-Mar-2023-12-43-3.981 | RKI ZBS6 |
| 3 | Burkholderia thailandensis E207 | 645.5571 | 2.8099 | dbspec-13-Mar-2023-12-43-39.731 | RKI ZBS6 |
| 4 | Burkholderia thailandensis E184 | 642.2024 | 2.8077 | dbspec-13-Mar-2023-12-43-32.106 | RKI ZBS6 |
| 5 | Burkholderia thailandensis LMG 20219 | 622.9684 | 2.7945 | dbspec-13-Mar-2023-12-43-43.45 | RKI ZBS2|ZBS6 |
| 6 | Burkholderia thailandensis DSM 13276 | 620.5623 | 2.7928 | dbspec-13-Mar-2023-12-42-45.45 | RKI ZBS6 |
| 7 | Burkholderia thailandensis E131 | 616.3726 | 2.7898 | dbspec-13-Mar-2023-12-43-15.778 | RKI ZBS6 |
| 8 | Burkholderia thailandensis E143 | 615.131 | 2.789 | dbspec-13-Mar-2023-12-43-19.996 | RKI ZBS6 |
| 9 | Burkholderia thailandensis E067 | 613.8937 | 2.7881 | dbspec-13-Mar-2023-12-43-0.059 | RKI ZBS6 |
| 10 | Burkholderia thailandensis E058 | 612.0542 | 2.7868 | dbspec-13-Mar-2023-12-42-56.184 | RKI ZBS6 |
| 11 | Burkholderia thailandensis ring trial A-269 07 A | 606.2118 | 2.7826 | dbspec-13-Mar-2023-12-42-43.356 | RKI ZBS2|ZBS6 |
| 12 | Burkholderia thailandensis E202 | 584.382 | 2.7667 | dbspec-13-Mar-2023-12-43-35.934 | RKI ZBS6 |
| 13 | Burkholderia thailandensis E153 | 552.9182 | 2.7427 | dbspec-13-Mar-2023-12-43-24.09 | RKI ZBS6 |
| 14 | Burkholderia thailandensis E049 | 552.1926 | 2.7421 | dbspec-13-Mar-2023-12-42-52.075 | RKI ZBS6 |
| 15 | Burkholderia thailandensis 090804RR0288 135 | 457.2344 | 2.6601 | dbspec-13-Mar-2023-12-42-20.435 | Dr. Tomaso (FLI Jena) |
| 16 | Burkholderia pseudomallei A335-1 | 411.7871 | 2.6147 | dbspec-13-Mar-2023-12-34-35.273 | RKI ZBS2 |
| 17 | Burkholderia pseudomallei CCUG 15649 | 405.2283 | 2.6077 | dbspec-13-Mar-2023-12-34-50.132 | RKI ZBS6 |
| 18 | Burkholderia pseudomallei CCUG 13790 | 398.4239 | 2.6003 | dbspec-13-Mar-2023-12-34-42.226 | RKI ZBS6 |
| 19 | Burkholderia pseudomallei CCUG 15651 | 371.5325 | 2.57 | dbspec-13-Mar-2023-12-34-54.445 | RKI ZBS6 |
| 20 | Burkholderia pseudomallei 4845 | 358.2464 | 2.5542 | dbspec-13-Mar-2023-12-35-5.554 | RKI ZBS6 |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 08, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0008 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 57975 | |
| NCBI ID (secondary): | 57975 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Burkholderia thailandensis E125: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T14:48:34.328+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_08/0_H17/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Burkholderia thailandensis | 880.3244 | 2.9446 | 57975 | 15 |
| 2 | Burkholderia mallei | 0.0042845 | -2.3681 | 13373 | 33 |
| 3 | n/a | 0 | -Inf | ||
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Burkholderia thailandensis DSM 13276 | 768.1893 | 2.8855 | dbspec-13-Mar-2023-12-42-45.45 | RKI ZBS6 |
| 2 | Burkholderia thailandensis E202 | 765.5871 | 2.884 | dbspec-13-Mar-2023-12-43-35.934 | RKI ZBS6 |
| 3 | Burkholderia thailandensis E184 | 764.1712 | 2.8832 | dbspec-13-Mar-2023-12-43-32.106 | RKI ZBS6 |
| 4 | Burkholderia thailandensis E125 | 737.7671 | 2.8679 | dbspec-13-Mar-2023-12-43-3.981 | RKI ZBS6 |
| 5 | Burkholderia thailandensis E207 | 737.1269 | 2.8675 | dbspec-13-Mar-2023-12-43-39.731 | RKI ZBS6 |
| 6 | Burkholderia thailandensis E131 | 735.7045 | 2.8667 | dbspec-13-Mar-2023-12-43-15.778 | RKI ZBS6 |
| 7 | Burkholderia thailandensis E153 | 735.4159 | 2.8665 | dbspec-13-Mar-2023-12-43-24.09 | RKI ZBS6 |
| 8 | Burkholderia thailandensis E058 | 733.3489 | 2.8653 | dbspec-13-Mar-2023-12-42-56.184 | RKI ZBS6 |
| 9 | Burkholderia thailandensis E143 | 733.3423 | 2.8653 | dbspec-13-Mar-2023-12-43-19.996 | RKI ZBS6 |
| 10 | Burkholderia thailandensis E049 | 732.7344 | 2.8649 | dbspec-13-Mar-2023-12-42-52.075 | RKI ZBS6 |
| 11 | Burkholderia thailandensis E067 | 707.8251 | 2.8499 | dbspec-13-Mar-2023-12-43-0.059 | RKI ZBS6 |
| 12 | Burkholderia thailandensis E163 | 707.4733 | 2.8497 | dbspec-13-Mar-2023-12-43-28.137 | RKI ZBS6 |
| 13 | Burkholderia thailandensis ring trial A-269 07 A | 614.5637 | 2.7886 | dbspec-13-Mar-2023-12-42-43.356 | RKI ZBS2|ZBS6 |
| 14 | Burkholderia thailandensis 090804RR0288 135 | 560.3891 | 2.7485 | dbspec-13-Mar-2023-12-42-20.435 | Dr. Tomaso (FLI Jena) |
| 15 | Burkholderia thailandensis LMG 20219 | 541.1567 | 2.7333 | dbspec-13-Mar-2023-12-43-43.45 | RKI ZBS2|ZBS6 |
| 16 | Burkholderia mallei BfR 242 041206RR1050 | 449.6762 | 2.6529 | dbspec-13-Mar-2023-12-24-4.577 | Dr. Tomaso (FLI Jena) |
| 17 | Burkholderia mallei BfR 242 300102RR0106 | 449.0297 | 2.6523 | dbspec-13-Mar-2023-12-24-37.295 | Dr. Tomaso (FLI Jena) |
| 18 | Burkholderia mallei BfR 235 300102RR0104 | 448.5281 | 2.6518 | dbspec-13-Mar-2023-12-23-8 | Dr. Tomaso (FLI Jena) |
| 19 | Burkholderia mallei BfR M2 041206RR1057 | 447.2179 | 2.6505 | dbspec-13-Mar-2023-12-26-53.324 | Dr. Tomaso (FLI Jena) |
| 20 | Burkholderia mallei NCTC 10247 041206RR1056 | 446.4352 | 2.6498 | dbspec-13-Mar-2023-12-28-54.802 | Dr. Tomaso (FLI Jena) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 08, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0008 | |
| type: | Measurement 03 | |
| NCBI ID (primary): | 57975 | |
| NCBI ID (secondary): | 57975 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 20 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Burkholderia thailandensis E125: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T09:36:55.281+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_08/0_H18/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Burkholderia thailandensis | 872.6275 | 2.9408 | 57975 | 15 |
| 2 | Burkholderia pseudomallei | 0.0036705 | -2.4353 | 28450 | 20 |
| 3 | Burkholderia mallei | 0.00060161 | -3.2207 | 13373 | 33 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Burkholderia thailandensis DSM 13276 | 767.1646 | 2.8849 | dbspec-13-Mar-2023-12-42-45.45 | RKI ZBS6 |
| 2 | Burkholderia thailandensis E125 | 737.1839 | 2.8676 | dbspec-13-Mar-2023-12-43-3.981 | RKI ZBS6 |
| 3 | Burkholderia thailandensis E067 | 736.2407 | 2.867 | dbspec-13-Mar-2023-12-43-0.059 | RKI ZBS6 |
| 4 | Burkholderia thailandensis E184 | 735.5702 | 2.8666 | dbspec-13-Mar-2023-12-43-32.106 | RKI ZBS6 |
| 5 | Burkholderia thailandensis E163 | 734.939 | 2.8663 | dbspec-13-Mar-2023-12-43-28.137 | RKI ZBS6 |
| 6 | Burkholderia thailandensis E143 | 732.6363 | 2.8649 | dbspec-13-Mar-2023-12-43-19.996 | RKI ZBS6 |
| 7 | Burkholderia thailandensis E207 | 706.2566 | 2.849 | dbspec-13-Mar-2023-12-43-39.731 | RKI ZBS6 |
| 8 | Burkholderia thailandensis E131 | 705.3297 | 2.8484 | dbspec-13-Mar-2023-12-43-15.778 | RKI ZBS6 |
| 9 | Burkholderia thailandensis E202 | 703.6123 | 2.8473 | dbspec-13-Mar-2023-12-43-35.934 | RKI ZBS6 |
| 10 | Burkholderia thailandensis E058 | 703.2393 | 2.8471 | dbspec-13-Mar-2023-12-42-56.184 | RKI ZBS6 |
| 11 | Burkholderia thailandensis E049 | 703.1183 | 2.847 | dbspec-13-Mar-2023-12-42-52.075 | RKI ZBS6 |
| 12 | Burkholderia thailandensis E153 | 677.2572 | 2.8308 | dbspec-13-Mar-2023-12-43-24.09 | RKI ZBS6 |
| 13 | Burkholderia thailandensis ring trial A-269 07 A | 642.7946 | 2.8081 | dbspec-13-Mar-2023-12-42-43.356 | RKI ZBS2|ZBS6 |
| 14 | Burkholderia thailandensis LMG 20219 | 622.9881 | 2.7945 | dbspec-13-Mar-2023-12-43-43.45 | RKI ZBS2|ZBS6 |
| 15 | Burkholderia thailandensis 090804RR0288 135 | 524.9824 | 2.7201 | dbspec-13-Mar-2023-12-42-20.435 | Dr. Tomaso (FLI Jena) |
| 16 | Burkholderia pseudomallei PITT 5691 041206RR1064 | 448.6769 | 2.6519 | dbspec-13-Mar-2023-12-36-28.661 | Dr. Tomaso (FLI Jena) |
| 17 | Burkholderia mallei BfR M2 041206RR1057 | 444.1621 | 2.6475 | dbspec-13-Mar-2023-12-26-53.324 | Dr. Tomaso (FLI Jena) |
| 18 | Burkholderia pseudomallei CCUG 15649 | 421.769 | 2.6251 | dbspec-13-Mar-2023-12-34-50.132 | RKI ZBS6 |
| 19 | Burkholderia pseudomallei PITT 521 041206RR1059 | 419.8068 | 2.623 | dbspec-13-Mar-2023-12-36-9.146 | Dr. Tomaso (FLI Jena) |
| 20 | Burkholderia mallei Zagreb | 418.5418 | 2.6217 | dbspec-13-Mar-2023-12-30-19.066 | Dr. Tomaso (FLI Jena) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 09, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_17_Maren_Stämmler_0003 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 632 | |
| NCBI ID (secondary): | 632 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 30 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Yersinia pestis A106-2: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-17T09:29:00.578+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_09/0_E21/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Yersinia pestis | 385.6608 | 2.5862 | 632 | 11 |
| 2 | Yersinia similis | 55.8603 | 1.7471 | 367190 | 2 |
| 3 | Bacillus anthracis | 43.014 | 1.6336 | 1392 | 130 |
| 4 | Vibrio cholerae | 21.2864 | 1.3281 | 666 | 52 |
| 5 | Yersinia pseudotuberculosis | 1.1028 | 0.042477 | 633 | 24 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Yersinia pestis O3-01500 | 350.5994 | 2.5448 | dbspec-13-Mar-2023-14-7-44.626 | RKI ZBS6 |
| 2 | Yersinia pestis O3-01501 | 302.3224 | 2.4805 | dbspec-13-Mar-2023-14-7-48.532 | RKI ZBS6 |
| 3 | Yersinia pestis CCUG EV 76, CCUG 32133 | 288.5371 | 2.4602 | dbspec-13-Mar-2023-14-6-7.546 | RKI ZBS6 |
| 4 | Bacillus anthracis unknown origin (A122, Beyer) | 272.2389 | 2.435 | dbspec-13-Mar-2023-10-28-32.483 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 5 | Yersinia similis IMB 4354 | 264.3254 | 2.4221 | dbspec-13-Mar-2023-14-10-51.809 | Prof. Fuchs (ZIEL, Munich) |
| 6 | Vibrio cholerae 189-1 | 252.3681 | 2.402 | dbspec-13-Mar-2023-13-53-59.599 | RKI ZBS2|ZBS6 |
| 7 | Yersinia similis DSM 18211, LMG 23763, CCUG 52882 | 241.7081 | 2.3833 | dbspec-13-Mar-2023-14-10-30.841 | CVUA Stuttgart |
| 8 | Vibrio cholerae A482-1 | 239.6772 | 2.3796 | dbspec-13-Mar-2023-13-56-41.58 | RKI ZBS6 |
| 9 | Vibrio cholerae A482-2 | 237.4842 | 2.3756 | dbspec-13-Mar-2023-13-56-46.173 | RKI ZBS6 |
| 10 | Yersinia pseudotuberculosis 07PW12234 | 225.6598 | 2.3535 | dbspec-13-Mar-2023-14-8-45.968 | RKI ZBS6 |
| 11 | Yersinia pestis O3-01504 | 225.5003 | 2.3531 | dbspec-13-Mar-2023-14-7-59.516 | RKI ZBS6 |
| 12 | Yersinia pestis O3-01502 | 224.3157 | 2.3509 | dbspec-13-Mar-2023-14-7-52.251 | RKI ZBS6 |
| 13 | Alkalihalobacillus halodurans DSM 6940 | 223.7891 | 2.3498 | dbspec-13-Mar-2023-10-18-49.043 | RKI ZBS6 |
| 14 | Yersinia pseudotuberculosis Typ3 P- INV+ | 222.3006 | 2.3469 | dbspec-13-Mar-2023-14-9-50.326 | RKI ZBS6 |
| 15 | Alkalihalobacillus halodurans DSM 497 | 221.8675 | 2.3461 | dbspec-13-Mar-2023-10-18-18.499 | RKI ZBS6 |
| 16 | Bacillus anthracis animal (A40, Beyer) | 221.5854 | 2.3455 | dbspec-13-Mar-2023-10-25-53.362 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 17 | Yersinia pseudotuberculosis 04PA01423 | 221.4696 | 2.3453 | dbspec-13-Mar-2023-14-8-17.969 | RKI ZBS6 |
| 18 | Yersinia pestis NCTC 5923, ATCC 19428 | 219.7146 | 2.3419 | dbspec-13-Mar-2023-14-7-33.278 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 19 | Yersinia pseudotuberculosis J9 | 216.64 | 2.3357 | dbspec-13-Mar-2023-14-9-25.936 | RKI ZBS6 |
| 20 | Yersinia enterocolitica Ring trial A-269 06 B | 216.4919 | 2.3354 | dbspec-13-Mar-2023-14-0-26.224 | RKI ZBS2|ZBS6 |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 09, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0009 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 632 | |
| NCBI ID (secondary): | 632 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 15 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Yersinia pestis A106-2: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T14:57:12.250+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_09/0_H19/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Yersinia pestis | 399.9811 | 2.602 | 632 | 11 |
| 2 | Bacillus anthracis | 80.792 | 1.9074 | 1392 | 130 |
| 3 | Yersinia similis | 48.6004 | 1.6866 | 367190 | 2 |
| 4 | Yersinia pseudotuberculosis | 16.2747 | 1.2115 | 633 | 24 |
| 5 | Yersinia pestis | 2.723 | 0.43504 | 632.1 | 8 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Yersinia pestis O3-01501 | 368.7671 | 2.5668 | dbspec-13-Mar-2023-14-7-48.532 | RKI ZBS6 |
| 2 | Yersinia pestis O3-01500 | 334.9428 | 2.525 | dbspec-13-Mar-2023-14-7-44.626 | RKI ZBS6 |
| 3 | Bacillus anthracis unknown origin (A122, Beyer) | 328.9738 | 2.5172 | dbspec-13-Mar-2023-10-28-32.483 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 4 | Yersinia pestis CCUG EV 76, CCUG 32133 | 326.7558 | 2.5142 | dbspec-13-Mar-2023-14-6-7.546 | RKI ZBS6 |
| 5 | Yersinia similis IMB 4354 | 296.393 | 2.4719 | dbspec-13-Mar-2023-14-10-51.809 | Prof. Fuchs (ZIEL, Munich) |
| 6 | Yersinia pestis NCTC 5923, ATCC 19428 | 287.6569 | 2.4589 | dbspec-13-Mar-2023-14-7-33.278 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 7 | Yersinia pseudotuberculosis Typ3 P- INV+ | 282.6815 | 2.4513 | dbspec-13-Mar-2023-14-9-50.326 | RKI ZBS6 |
| 8 | Yersinia pseudotuberculosis 04PA01423 | 276.7564 | 2.4421 | dbspec-13-Mar-2023-14-8-17.969 | RKI ZBS6 |
| 9 | Yersinia pestis O3-01502 | 276.4182 | 2.4416 | dbspec-13-Mar-2023-14-7-52.251 | RKI ZBS6 |
| 10 | Yersinia pseudotuberculosis 27705 | 270.2117 | 2.4317 | dbspec-13-Mar-2023-14-9-2.624 | RKI ZBS6 |
| 11 | Yersinia similis DSM 18211, LMG 23763, CCUG 52882 | 268.6606 | 2.4292 | dbspec-13-Mar-2023-14-10-30.841 | CVUA Stuttgart |
| 12 | Yersinia pseudotuberculosis 07WI00989 | 267.6929 | 2.4276 | dbspec-13-Mar-2023-14-8-51.031 | RKI ZBS6 |
| 13 | Yersinia pseudotuberculosis 25743 | 267.6561 | 2.4276 | dbspec-13-Mar-2023-14-8-54.906 | RKI ZBS6 |
| 14 | Yersinia pseudotuberculosis Ring trial A-269 04 B | 263.6661 | 2.4211 | dbspec-13-Mar-2023-14-9-30.061 | RKI ZBS2|ZBS6 |
| 15 | Yersinia pseudotuberculosis DSM 22972 | 251.9859 | 2.4014 | dbspec-13-Mar-2023-14-9-34.53 | RKI ZBS6 |
| 16 | Yersinia pseudotuberculosis 07PW12234 | 251.9022 | 2.4012 | dbspec-13-Mar-2023-14-8-45.968 | RKI ZBS6 |
| 17 | Bacillus anthracis Sterne vaccine (A123, Beyer) | 251.6496 | 2.4008 | dbspec-13-Mar-2023-10-24-59.298 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 18 | Yersinia pestis O3-01504 | 249.2561 | 2.3966 | dbspec-13-Mar-2023-14-7-59.516 | RKI ZBS6 |
| 19 | Yersinia enterocolitica Ring trial A-269 06 B | 247.3726 | 2.3934 | dbspec-13-Mar-2023-14-0-26.224 | RKI ZBS2|ZBS6 |
| 20 | Yersinia pestis NCTC 570 | 245.4798 | 2.39 | dbspec-13-Mar-2023-14-7-15.294 | Dr. Drevinek (Sujchbo, Czech Republic) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 09, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0009 | |
| type: | Measurement 03 | |
| NCBI ID (primary): | 632 | |
| NCBI ID (secondary): | 632 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 15 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Yersinia pestis A106-2: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T09:44:17.781+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_09/0_H20/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Yersinia pestis | 385.0124 | 2.5855 | 632 | 11 |
| 2 | Bacillus anthracis | 80.8769 | 1.9078 | 1392 | 130 |
| 3 | Yersinia similis | 78.1345 | 1.8928 | 367190 | 2 |
| 4 | Yersinia pseudotuberculosis | 10.7349 | 1.0308 | 633 | 24 |
| 5 | Yersinia pestis | 2.7896 | 0.44554 | 632.1 | 8 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Yersinia pestis O3-01501 | 364.5943 | 2.5618 | dbspec-13-Mar-2023-14-7-48.532 | RKI ZBS6 |
| 2 | Yersinia pestis O3-01500 | 329.6823 | 2.5181 | dbspec-13-Mar-2023-14-7-44.626 | RKI ZBS6 |
| 3 | Bacillus anthracis unknown origin (A122, Beyer) | 329.3877 | 2.5177 | dbspec-13-Mar-2023-10-28-32.483 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 4 | Yersinia pestis CCUG EV 76, CCUG 32133 | 325.9052 | 2.5131 | dbspec-13-Mar-2023-14-6-7.546 | RKI ZBS6 |
| 5 | Yersinia similis DSM 18211, LMG 23763, CCUG 52882 | 306.4703 | 2.4864 | dbspec-13-Mar-2023-14-10-30.841 | CVUA Stuttgart |
| 6 | Yersinia similis IMB 4354 | 304.1836 | 2.4831 | dbspec-13-Mar-2023-14-10-51.809 | Prof. Fuchs (ZIEL, Munich) |
| 7 | Yersinia pseudotuberculosis Typ3 P- INV+ | 289.9502 | 2.4623 | dbspec-13-Mar-2023-14-9-50.326 | RKI ZBS6 |
| 8 | Yersinia pestis NCTC 5923, ATCC 19428 | 286.0528 | 2.4564 | dbspec-13-Mar-2023-14-7-33.278 | Dr. Drevinek (Sujchbo, Czech Republic) |
| 9 | Yersinia pestis O3-01502 | 283.3844 | 2.4524 | dbspec-13-Mar-2023-14-7-52.251 | RKI ZBS6 |
| 10 | Yersinia enterocolitica Ring trial A-269 06 B | 282.4484 | 2.4509 | dbspec-13-Mar-2023-14-0-26.224 | RKI ZBS2|ZBS6 |
| 11 | Yersinia pseudotuberculosis 04PA01423 | 282.1283 | 2.4504 | dbspec-13-Mar-2023-14-8-17.969 | RKI ZBS6 |
| 12 | Yersinia pseudotuberculosis 27705 | 277.7353 | 2.4436 | dbspec-13-Mar-2023-14-9-2.624 | RKI ZBS6 |
| 13 | Yersinia pseudotuberculosis 25743 | 275.3895 | 2.4399 | dbspec-13-Mar-2023-14-8-54.906 | RKI ZBS6 |
| 14 | Yersinia pseudotuberculosis 07WI00989 | 273.3318 | 2.4367 | dbspec-13-Mar-2023-14-8-51.031 | RKI ZBS6 |
| 15 | Yersinia pseudotuberculosis Ring trial A-269 04 B | 270.6463 | 2.4324 | dbspec-13-Mar-2023-14-9-30.061 | RKI ZBS2|ZBS6 |
| 16 | Yersinia pseudotuberculosis 07PW12234 | 260.1464 | 2.4152 | dbspec-13-Mar-2023-14-8-45.968 | RKI ZBS6 |
| 17 | Yersinia pseudotuberculosis DSM 22972 | 258.5891 | 2.4126 | dbspec-13-Mar-2023-14-9-34.53 | RKI ZBS6 |
| 18 | Yersinia pestis O3-01504 | 255.9371 | 2.4081 | dbspec-13-Mar-2023-14-7-59.516 | RKI ZBS6 |
| 19 | Yersinia pseudotuberculosis J9 | 251.8718 | 2.4012 | dbspec-13-Mar-2023-14-9-25.936 | RKI ZBS6 |
| 20 | Bacillus anthracis animal (A40, Beyer) | 251.546 | 2.4006 | dbspec-13-Mar-2023-10-25-53.362 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 10, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_17_Maren_Stämmler_0004 | |
| type: | Measurement 01 | |
| NCBI ID (primary): | 1428 | |
| NCBI ID (secondary): | 1428 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 80 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Bacillus thuringiensis DSM 350: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-17T09:39:08.984+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_10/0_E22/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Bacillus thuringiensis | 707.9331 | 2.85 | 1428 | 20 |
| 2 | Bacillus cereus | 11.4704 | 1.0596 | 1396 | 102 |
| 3 | Bacillus anthracis | 1.5188 | 0.18151 | 1392 | 130 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Bacillus thuringiensis DSM 2046 (B188, Beyer) | 552.3917 | 2.7422 | dbspec-13-Mar-2023-10-55-6.678 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 2 | Bacillus thuringiensis DSM 2046 | 526.6426 | 2.7215 | dbspec-13-Mar-2023-10-55-12.506 | RKI ZBS6 |
| 3 | Bacillus thuringiensis DSM 6890 | 515.5886 | 2.7123 | dbspec-13-Mar-2023-10-56-7.598 | RKI ZBS6 |
| 4 | Bacillus thuringiensis WS 2621 | 504.5297 | 2.7029 | dbspec-13-Mar-2023-10-57-44.127 | RKI ZBS6, Prof. Ehling-Schulz |
| 5 | Bacillus thuringiensis DSM 350 | 499.8741 | 2.6989 | dbspec-13-Mar-2023-10-55-19.49 | RKI ZBS6 |
| 6 | Bacillus thuringiensis DSM 5815 | 499.3059 | 2.6984 | dbspec-13-Mar-2023-10-55-28.505 | RKI ZBS6 |
| 7 | Bacillus thuringiensis DSM 2046 (WS 2734) | 476.3955 | 2.678 | dbspec-13-Mar-2023-10-57-47.049 | RKI ZBS6, Prof. Ehling-Schulz |
| 8 | Bacillus cereus DSM 31 ATCC 14579 (B69, Beyer) | 446.3473 | 2.6497 | dbspec-13-Mar-2023-10-38-30.876 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 9 | Bacillus cereus DSM 31 (B181, Beyer) | 445.9232 | 2.6493 | dbspec-13-Mar-2023-10-38-12.908 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 10 | Bacillus thuringiensis DSM 350 (WIS-St. Nr. 315) | 440.3233 | 2.6438 | dbspec-13-Mar-2023-10-57-41.268 | RKI ZBS6 |WIS (Dr. Niederwoehrmeier, Munster) |
| 11 | Bacillus anthracis unknown origin (A9, Beyer) | 435.556 | 2.639 | dbspec-13-Mar-2023-10-33-14.227 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 12 | Bacillus anthracis unknown origin (A28, Beyer) | 435.2244 | 2.6387 | dbspec-13-Mar-2023-10-29-51.2 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 13 | Bacillus anthracis unknown origin (A10, Beyer) | 434.627 | 2.6381 | dbspec-13-Mar-2023-10-26-50.642 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 14 | Bacillus anthracis unknown origin (A63, Beyer) | 433.7381 | 2.6372 | dbspec-13-Mar-2023-10-31-56.088 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 15 | Bacillus anthracis A300-2b (RKI) | 432.8288 | 2.6363 | dbspec-13-Mar-2023-10-21-55.739 | RKI ZBS2 |
| 16 | Bacillus anthracis unknown origin (A73, Beyer) | 431.5667 | 2.635 | dbspec-13-Mar-2023-10-32-23.963 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 17 | Bacillus anthracis unknown origin (A113, Beyer) | 430.4868 | 2.634 | dbspec-13-Mar-2023-10-28-10.734 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 18 | Bacillus anthracis unknown origin (A32, Beyer) | 430.4723 | 2.6339 | dbspec-13-Mar-2023-10-30-8.372 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 19 | Bacillus cereus DSM 31 (RKI) | 426.4628 | 2.6299 | dbspec-13-Mar-2023-10-38-18.205 | RKI ZBS6 |
| 20 | Bacillus anthracis ATCC 14578 (A71, Beyer) | 425.345 | 2.6287 | dbspec-13-Mar-2023-10-23-57.94 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 10, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_13_Maren_Stämmler_0010 | |
| type: | Measurement 02 | |
| NCBI ID (primary): | 1428 | |
| NCBI ID (secondary): | 1428 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 25 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Bacillus thuringiensis DSM 350: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-13T15:05:30.796+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_10/0_H21/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Bacillus thuringiensis | 804.4046 | 2.9055 | 1428 | 20 |
| 2 | Bacillus toyonensis | 8.2128 | 0.91449 | 155322 | 16 |
| 3 | Bacillus anthracis | 2.307 | 0.36304 | 1392 | 130 |
| 4 | Bacillus cereus | 0.41494 | -0.38201 | 1396 | 102 |
| 5 | Bacillus wiedmannii | 9.2959e-09 | -8.0317 | 1890302 | 8 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Bacillus thuringiensis DSM 6890 | 703.6466 | 2.8474 | dbspec-13-Mar-2023-10-56-7.598 | RKI ZBS6 |
| 2 | Bacillus thuringiensis DSM 350 | 644.8777 | 2.8095 | dbspec-13-Mar-2023-10-55-19.49 | RKI ZBS6 |
| 3 | Bacillus thuringiensis DSM 2046 (B188, Beyer) | 641.5966 | 2.8073 | dbspec-13-Mar-2023-10-55-6.678 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 4 | Bacillus thuringiensis DSM 5815 | 617.206 | 2.7904 | dbspec-13-Mar-2023-10-55-28.505 | RKI ZBS6 |
| 5 | Bacillus thuringiensis DSM 2046 | 615.4634 | 2.7892 | dbspec-13-Mar-2023-10-55-12.506 | RKI ZBS6 |
| 6 | Bacillus thuringiensis DSM 2046 (WS 2734) | 603.2017 | 2.7805 | dbspec-13-Mar-2023-10-57-47.049 | RKI ZBS6, Prof. Ehling-Schulz |
| 7 | Bacillus thuringiensis WS 2621 | 578.4607 | 2.7623 | dbspec-13-Mar-2023-10-57-44.127 | RKI ZBS6, Prof. Ehling-Schulz |
| 8 | Bacillus toyonensis NMTD92 | 513.1037 | 2.7102 | dbspec-13-Mar-2023-10-58-56.219 | RKI ZBS6 |Prof. Gao (Nanjing, China) |
| 9 | Bacillus thuringiensis NMTD81 | 511.3273 | 2.7087 | dbspec-13-Mar-2023-10-57-24.862 | RKI ZBS6 |Prof. Gao (Nanjing, China) |
| 10 | Bacillus anthracis unknown origin (A36, Beyer) | 501.2274 | 2.7 | dbspec-13-Mar-2023-10-30-31.199 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 11 | Bacillus thuringiensis GBSC29 (02) | 500.7105 | 2.6996 | dbspec-13-Mar-2023-10-56-50.363 | RKI ZBS6 |Prof. Gao (Nanjing, China) |
| 12 | Bacillus cereus DSM 31 (B181, Beyer) | 477.4904 | 2.679 | dbspec-13-Mar-2023-10-38-12.908 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 13 | Bacillus anthracis unknown origin (A5, Beyer) | 470.6633 | 2.6727 | dbspec-13-Mar-2023-10-31-22.823 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 14 | Bacillus thuringiensis DSM 350 (WIS-St. Nr. 315) | 470.4183 | 2.6725 | dbspec-13-Mar-2023-10-57-41.268 | RKI ZBS6 |WIS (Dr. Niederwoehrmeier, Munster) |
| 15 | Bacillus anthracis unknown origin (A10, Beyer) | 466.9592 | 2.6693 | dbspec-13-Mar-2023-10-26-50.642 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 16 | Bacillus anthracis unknown origin, blue (A88, Beyer) | 465.8937 | 2.6683 | dbspec-13-Mar-2023-10-33-35.805 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 17 | Bacillus cereus DSM 31 (RKI) | 457.5174 | 2.6604 | dbspec-13-Mar-2023-10-38-18.205 | RKI ZBS6 |
| 18 | Bacillus anthracis Sterne vaccine (A118, Beyer) | 456.4808 | 2.6594 | dbspec-13-Mar-2023-10-24-54.204 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 19 | Bacillus anthracis unknown origin (A62, Beyer) | 452.5967 | 2.6557 | dbspec-13-Mar-2023-10-31-50.057 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 20 | Bacillus wiedmannii NMSW23 | 444.8285 | 2.6482 | dbspec-13-Mar-2023-11-2-54.98 | RKI ZBS6 |Prof. Gao (Nanjing, China) |
Metadata of actual MALDI-ToF test spectrum | ||
| genus / species / strain: | RKI MALDI sample 10, QUANDHIP EQAE ring trial, strains provided by RKI | ZBS 2 | |
| file id: | 2013_06_14_Maren_Stämmler_0010 | |
| type: | Measurement 03 | |
| NCBI ID (primary): | 1428 | |
| NCBI ID (secondary): | 1428 | |
| growth time: | Optimal growth time between 24 - 72h | |
| growth temperature: | 37°C | |
| growth conditions: | Optimal aerobic or microaerophilic conditions | |
| growth medium: | Columbia blood agar (Oxoid), 2nd passage on TSA or Caso agar, harvested by the 2nd passage | |
| sample treatment: | Sample mixed with 25 mkL 100§ TFA, final TFA conc. approx. 80 perc.; approx. 30 Min treatment time; diluted 1:10 (vol); mixed with 1:1 HCCA|TA2(A) | |
| spores: | No | |
| concentration: | Pellet produced by centrifugation (1 x 5 Min, 15,000 rpm) of a 500 mkL cell suspension, gamma ray irradiated (30 kGy) | |
| extra info: | Bacillus thuringiensis DSM 350: microbial preparation by ZBS 2| preparation for MALDI-ToF MS: M. Stämmler | |
| calibration standard: | linear calibration using Escherichia coli DSM 3871 | |
| measurement method: | D:\Methods\flexControlMethods\MaierMethods\ToM_200ns_20130611.par | |
| customer: | RKI ZBS 2| ZBS 6 | |
| measurement date/time: | 2013-06-14T09:51:48.343+02:00 | |
| path to MS file: | /home/lasch/MATLAB/microbe test spectra/ring trial RKI spectra/Sample_10/0_H22/1/1SLin | |
Identification results: analysis of score ranking list | |||||
| No. | Genus/Species | Score | Log Score | UniProt Identifier | No. of strains in DB |
| 1 | Bacillus thuringiensis | 712.1458 | 2.8526 | 1428 | 20 |
| 2 | Bacillus anthracis | 13.917 | 1.1435 | 1392 | 130 |
| 3 | Bacillus toyonensis | 3.7796 | 0.57745 | 155322 | 16 |
| 4 | Bacillus wiedmannii | 5.4428e-05 | -4.2642 | 1890302 | 8 |
Score ranking list: best matches with test spectrum | |||||
| No. | Genus/Species/Strain | Score | Log Score | Spectrum identifier | Customer, or UniprotKB link |
| 1 | Bacillus thuringiensis DSM 350 | 581.9254 | 2.7649 | dbspec-13-Mar-2023-10-55-19.49 | RKI ZBS6 |
| 2 | Bacillus thuringiensis DSM 6890 | 547.8111 | 2.7386 | dbspec-13-Mar-2023-10-56-7.598 | RKI ZBS6 |
| 3 | Bacillus thuringiensis WS 2621 | 510.7917 | 2.7082 | dbspec-13-Mar-2023-10-57-44.127 | RKI ZBS6, Prof. Ehling-Schulz |
| 4 | Bacillus thuringiensis DSM 2046 (B188, Beyer) | 507.3118 | 2.7053 | dbspec-13-Mar-2023-10-55-6.678 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 5 | Bacillus thuringiensis DSM 2046 | 483.4156 | 2.6843 | dbspec-13-Mar-2023-10-55-12.506 | RKI ZBS6 |
| 6 | Bacillus thuringiensis DSM 2046 (WS 2734) | 475.0981 | 2.6768 | dbspec-13-Mar-2023-10-57-47.049 | RKI ZBS6, Prof. Ehling-Schulz |
| 7 | Bacillus anthracis unknown origin (A36, Beyer) | 434.3859 | 2.6379 | dbspec-13-Mar-2023-10-30-31.199 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 8 | Bacillus thuringiensis DSM 5815 | 432.1404 | 2.6356 | dbspec-13-Mar-2023-10-55-28.505 | RKI ZBS6 |
| 9 | Bacillus toyonensis NMTD92 | 416.9318 | 2.6201 | dbspec-13-Mar-2023-10-58-56.219 | RKI ZBS6 |Prof. Gao (Nanjing, China) |
| 10 | Bacillus thuringiensis NMTD81 | 415.388 | 2.6185 | dbspec-13-Mar-2023-10-57-24.862 | RKI ZBS6 |Prof. Gao (Nanjing, China) |
| 11 | Bacillus thuringiensis GBSC29 (02) | 404.7973 | 2.6072 | dbspec-13-Mar-2023-10-56-50.363 | RKI ZBS6 |Prof. Gao (Nanjing, China) |
| 12 | Bacillus anthracis unknown origin (A10, Beyer) | 395.3841 | 2.597 | dbspec-13-Mar-2023-10-26-50.642 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 13 | Bacillus anthracis unknown origin (A73, Beyer) | 394.6925 | 2.5963 | dbspec-13-Mar-2023-10-32-23.963 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 14 | Bacillus anthracis unknown origin, blue (A88, Beyer) | 389.6381 | 2.5907 | dbspec-13-Mar-2023-10-33-35.805 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 15 | Bacillus anthracis unknown origin (A93, Beyer) | 381.0291 | 2.581 | dbspec-13-Mar-2023-10-33-19.711 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 16 | Bacillus anthracis Sterne vaccine (A118, Beyer) | 379.95 | 2.5797 | dbspec-13-Mar-2023-10-24-54.204 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 17 | Bacillus anthracis unknown origin (A62, Beyer) | 379.8761 | 2.5796 | dbspec-13-Mar-2023-10-31-50.057 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 18 | Bacillus wiedmannii NMSW23 | 378.8359 | 2.5785 | dbspec-13-Mar-2023-11-2-54.98 | RKI ZBS6 |Prof. Gao (Nanjing, China) |
| 19 | Bacillus anthracis unknown origin (A5, Beyer) | 373.8151 | 2.5727 | dbspec-13-Mar-2023-10-31-22.823 | RKI ZBS6, Dr. Beyer (Uni Hohenheim) |
| 20 | Bacillus thuringiensis DSM 350 (WIS-St. Nr. 315) | 371.2893 | 2.5697 | dbspec-13-Mar-2023-10-57-41.268 | RKI ZBS6 |WIS (Dr. Niederwoehrmeier, Munster) |