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hgb-bin-proteomics / CandidateSearch

Proof-of-concept implementation of a search engine that uses sparse matrix multiplication to identify the best peptide candidates for a given mass spectrum.
https://hgb-bin-proteomics.github.io/CandidateSearch
MIT License
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Peak comparison for deconvolution #13

Closed michabirklbauer closed 11 months ago

michabirklbauer commented 1 year ago

The following approach actually is incorrect since we cannot be sure that the previous/next peak is actually the one in the isotope distribution - it could also be noise or overlapping isotope distribution.

https://github.com/hgb-bin-proteomics/CandidateSearch/blob/b533c78780fa4c71973a49b28d10a0e414c97684/util/SpectrumProcessor.cs#L43

Use approach as described here:

https://github.com/hgb-bin-proteomics/MSAnnika_internal/blob/0ab5b54c75612bd63fbd9905f56fb852f1bcc428/PD3.1/FHOOE_IMP.MS_Annika/FHOOE_IMP.MS_Annika.MSAmanda/Utils/Spectrum.cs#L292

michabirklbauer commented 1 year ago

related #12

michabirklbauer commented 11 months ago

This will not be worked on (within this project).