please back correlate FormulaFinder results with Library Hits results
Right now in Analytics result table, the FormulaFinder result sometimes doesn't match to the Library Hits result, i.e., the formula is wrong to the compound name in the library hit. Can we add in the algorithm so that the formula result will match to the candidate in library hit? Obviously, there will be multiple results in FormulaFinder and LibraryHits. Search again each other with all the combinations and give the best match there is. This would also improve the overall search results to present the best candidates.
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Feb 20, 2019
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Any thoughts on how to decide on 'best match'? In some cases it easy, one library hit has high Purity with many fragments in the MSMS. But What about cases where the MSMS has poor fragmentation and still gets a high library match score? What about cases where a bunch of library hits have a similar low or medium level score?
