{"repo":"usnistgov/dimspec","free":true,"listed":false,"github":"https://github.com/usnistgov/dimspec","clone":"git clone https://github.com/usnistgov/dimspec.git","description":"The Database Infrastructure for Mass Spectrometry (DIMSpec) project","language":"R","stars":27,"topics":["database","mass-spectrometry","nist","nist-database","pfas","plumber-api","r","scientific-research","scientific-software","shiny-r"],"license":null,"category":"databases-storage","readme_excerpt":"Database Infrastructure for Mass Spectrometry (DIMSpec) About  Welcome to the Database Infrastructure for Mass Spectrometry project. This project is the result of work from the National Institute of Standards and Technology's Chemical Sciences Division , part of the Material Measurement Laboratory . We seek to provide a comprehensive portable database toolkit supporting non-targeted analysis of high resolution mass spectrometry experiments for exposure-based analyte targets (e.g. per- and polyfluorinated alkyl substances (PFAS)) including descriptive metadata for analytical instrument method, quality analysis, and samples. If you would like to get involved, or just to keep track of the project, please give this repository a watch or star, or send an email to pfas@nist.gov to receive updates. Latest News 2024 September (@jmr-nist-gov)  Lots of news this month as we work toward the next release. Many of these updates are thanks to users beginning to use DIMSpec \"in the wild\", partly in association with the recently completed NIST PFAS Non-Targeted Analysis Interlaboratory Study. Many thanks to all the participants; the final report is working its way through development now and should be available by the end of 2024. Keep reading below for the highlights, or click into the details fold to get the nitty gritty: 1. The compound aliases list in the database has been expanded to include a large number of PubChem ID references ( 2,600). 1. Certain views in the database wer","default_branch":null,"files":null,"tree":[],"storefront":"/r/usnistgov","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/usnistgov/dimspec/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}