XiaoyangSu / AccuCor

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Fix correction limit for mixed elements #11

Closed XiaoyangSu closed 3 years ago

XiaoyangSu commented 4 years ago

The non-tracer elements are merged into one matrix to account for the correction limit calculation for mixed elements. For example, for C5H10NO2 at 60,000 resolution, the 15N1 can be resolved from 13C1. However, the 2H2,15N1 cannot be resolved from 13C3. This issue was suggested by Pierre Millard (Bioinformatic 2019, PMID 30903185). We believe this effect of this issue is small because the combination of the non-tracer elements has very low probability. We are currently evaluating the effect. Despite this, we wish to correct this issue for the best possible accuracy.