angelolab / angelolab/maldi-tools
Library matching to more than one peak for an adduct
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enhancement
- 主要語言
- Python
- 星號
- 1
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- 0
- PR 合併指標
- 30 天內沒有已合併 PR
描述
The output of library matching sometimes matches more than one peak to an adduct.
See above example, where glycan H6N6 matched to two peaks 2231.6257 and 2231.79307, and the latter has a much smaller mass error to the accurate mass of H6N6.
Would be great if a function could be added that checks for whether more than one peak is matched to an adduct, and if so, take the peak with a smaller mass error as the matched peak. Thanks!
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