IsoDec Deconvolution Algorithm

[nbollis]

IsoDec is an isotopic deconvolution algorithm that will work for isotopically resolved data under ~60kDa.

It can output multiple plausible missed monoisitopic's for the same precursor. This will need to be handled in MetaMorpheus PostSearchAnalysisTask

[codecov[bot]]

Codecov Report

Attention: Patch coverage is 9.43396% with 48 lines in your changes missing coverage. Please review.

Project coverage is 75.34%. Comparing base (a78eea2) to head (7c5132e).

Files	Patch %	Lines
...ometry/Deconvolution/Algorithms/IsoDecAlgorithm.cs	0.00%	41 Missing :warning:
...lution/Parameters/IsoDecDeconvolutionParameters.cs	0.00%	5 Missing :warning:
...Lib/MassSpectrometry/Deconvolution/Deconvoluter.cs	66.66%	1 Missing and 1 partial :warning:

Additional details and impacted files

[](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/791?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc) ```diff @@ Coverage Diff @@ ## master #791 +/- ## ========================================== - Coverage 75.46% 75.34% -0.12% ========================================== Files 201 203 +2 Lines 30814 30859 +45 Branches 3106 3111 +5 ========================================== - Hits 23254 23251 -3 - Misses 7035 7082 +47 - Partials 525 526 +1 ``` | [Files](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/791?dropdown=coverage&src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc) | Coverage Δ | | |---|---|---| | [...lution/Algorithms/ClassicDeconvolutionAlgorithm.cs](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/791?src=pr&el=tree&filepath=mzLib%2FMassSpectrometry%2FDeconvolution%2FAlgorithms%2FClassicDeconvolutionAlgorithm.cs&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc#diff-bXpMaWIvTWFzc1NwZWN0cm9tZXRyeS9EZWNvbnZvbHV0aW9uL0FsZ29yaXRobXMvQ2xhc3NpY0RlY29udm9sdXRpb25BbGdvcml0aG0uY3M=) | `96.89% <100.00%> (-0.04%)` | :arrow_down: | | [...Lib/MassSpectrometry/Deconvolution/Deconvoluter.cs](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/791?src=pr&el=tree&filepath=mzLib%2FMassSpectrometry%2FDeconvolution%2FDeconvoluter.cs&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc#diff-bXpMaWIvTWFzc1NwZWN0cm9tZXRyeS9EZWNvbnZvbHV0aW9uL0RlY29udm9sdXRlci5jcw==) | `90.47% <66.66%> (-9.53%)` | :arrow_down: | | [...lution/Parameters/IsoDecDeconvolutionParameters.cs](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/791?src=pr&el=tree&filepath=mzLib%2FMassSpectrometry%2FDeconvolution%2FParameters%2FIsoDecDeconvolutionParameters.cs&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc#diff-bXpMaWIvTWFzc1NwZWN0cm9tZXRyeS9EZWNvbnZvbHV0aW9uL1BhcmFtZXRlcnMvSXNvRGVjRGVjb252b2x1dGlvblBhcmFtZXRlcnMuY3M=) | `0.00% <0.00%> (ø)` | | | [...ometry/Deconvolution/Algorithms/IsoDecAlgorithm.cs](https://app.codecov.io/gh/smith-chem-wisc/mzLib/pull/791?src=pr&el=tree&filepath=mzLib%2FMassSpectrometry%2FDeconvolution%2FAlgorithms%2FIsoDecAlgorithm.cs&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=smith-chem-wisc#diff-bXpMaWIvTWFzc1NwZWN0cm9tZXRyeS9EZWNvbnZvbHV0aW9uL0FsZ29yaXRobXMvSXNvRGVjQWxnb3JpdGhtLmNz) | `0.00% <0.00%> (ø)` | |

[trishorts]

maybe we can add something for each new decon method about which of the two camps it falls into.

https://github.com/smith-chem-wisc/mzLib/discussions/694

[trishorts]

What mass range and resolution will this method apply to?

[trishorts]

Patch coverage will need to be >= 90%