Building In-House Libraries to Use with the NIST/NIJ DART-MS Data Interpretation Tool
This article presents two programs to help users construct mass spectral libraries for use with the NIST/NIJ DART-MS Data Interpretation Tool (version 3.22). The Full Database Builder program─which is a modification of the original database building script published through NIST─generates libraries that follow the exact specification of the NIST DART-MS Library builder. The Basic Database Builder program requires less information from the user and has fewer computational dependencies, making it an ideal program for users building small in-house libraries for research and testing purposes. The programs are available at https://github.com/asm3-trentu/CRAFTS-DBBuilder.
Authors
- Arun S. Moorthy (ORCID: https://orcid.org/0000-0002-5988-1389)
- J. Tyler Davidson (ORCID: https://orcid.org/0000-0001-9932-8273)
- Christany Liggins (ORCID: https://orcid.org/0009-0004-5380-0789)
Institutions
- Sam Houston State University (US)
- Trent University (CA)
Publication Details
- Journal
- Journal of the American Society for Mass Spectrometry
- Published
- 2025-12-17
- DOI
- https://doi.org/10.1021/jasms.5c00382
- Primary Topic
- Research Data Management Practices
- Type
- article
- Field-Weighted Citation Impact
- 0.00