Dataset Open Access
Version 3 (20181130) of the RKI’s MALDI-TOF mass spectral database represents the second update of the original database (version 20161027, https://doi.org/10.5281/zenodo.163517). The RKI database v.3 contains altogether 6264 mass spectra from highly pathogenic (i.e. biosafety level 3, BSL-3) bacteria such as Bacillus anthracis, Yersinia pestis, Burkholderia mallei, Burkholderia pseudomallei and Francisella tularensis as well as a selection of spectra from their close and more distant relatives. The database can be used as a reference for the diagnostics of BSL-3 bacteria using proprietary and free software packages for MALDI-TOF MS-based microbial identification. Spectral data are distributed as a 7-zip archive that contains the original mass spectra in its native data format (Bruker Daltonics). Please refer to the pdf file (181130-ZENODO-Metadata.pdf) to obtain information on cultivation condition, sample preparation and details of spectra acquisition. Do not try to print this document (~1000 pages!)
The pkf-file (181130_ZENODO_Peaklist_30Peaks_1.6.pkf) contains the MS peak list data in a Matlab compatible format. The latter data file can be imported into MicrobeMS, a Matlab-based free-of-charge software solution developed at RKI. MicrobeMS is available from http://www.microbe-ms.com.
The RKI mass spectral database will be updated on a regular basis.
The author's grateful thanks are given to the following persons for providing microbial strains and species, or mass spectra. Without their help this work would not be possible.
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