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Building In-House Libraries to Use with the NIST/NIJ DART-MS Data Interpretation Tool
Arun S Moorthy1, Christany Liggins2, J Tyler Davidson2
1Department of Forensic Science, Trent University, Peterborough, ON K9L 0G2, Canada.
None:
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.
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