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wkumler / RaMS

R-based access to Mass-Spectrometry data
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RaMS version 1.3: chromatograms and DAD data #14

Closed wkumler closed 1 year ago

wkumler commented 1 year ago

This PR publishes RaMS version 1.3, enabling the extraction of chromatograms and diode-array detection (DAD) data, thereby resolving issues #6 and #10. Several bugs have also been squashed, documentation updated, and unit tests expanded.

wkumler commented 1 year ago

Credit to both @ricardobachertdacunha and @ethanbass for providing inspiration and code! Thank you for the contributions.

codecov-commenter commented 1 year ago

Codecov Report

Base: 85.41% // Head: 86.25% // Increases project coverage by +0.84% :tada:

Coverage data is based on head (7e6792e) compared to base (d4c4d98). Patch coverage: 86.95% of modified lines in pull request are covered.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #14 +/- ## ========================================== + Coverage 85.41% 86.25% +0.84% ========================================== Files 5 5 Lines 1083 1171 +88 ========================================== + Hits 925 1010 +85 - Misses 158 161 +3 ``` | [Impacted Files](https://codecov.io/gh/wkumler/RaMS/pull/14?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=William) | Coverage Δ | | |---|---|---| | [R/minifyMSFunctions.R](https://codecov.io/gh/wkumler/RaMS/pull/14/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=William#diff-Ui9taW5pZnlNU0Z1bmN0aW9ucy5S) | `87.33% <0.00%> (-0.29%)` | :arrow_down: | | [R/grabMzxmlFunctions.R](https://codecov.io/gh/wkumler/RaMS/pull/14/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=William#diff-Ui9ncmFiTXp4bWxGdW5jdGlvbnMuUg==) | `86.79% <81.48%> (-0.12%)` | :arrow_down: | | [R/grabMzmlFunctions.R](https://codecov.io/gh/wkumler/RaMS/pull/14/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=William#diff-Ui9ncmFiTXptbEZ1bmN0aW9ucy5S) | `93.01% <90.54%> (+6.68%)` | :arrow_up: | | [R/grabMSdataCode.R](https://codecov.io/gh/wkumler/RaMS/pull/14/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=William#diff-Ui9ncmFiTVNkYXRhQ29kZS5S) | `88.46% <100.00%> (+0.32%)` | :arrow_up: | | [R/tmzMLFunctions.R](https://codecov.io/gh/wkumler/RaMS/pull/14/diff?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=William#diff-Ui90bXpNTEZ1bmN0aW9ucy5S) | `66.88% <100.00%> (-7.46%)` | :arrow_down: | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=William). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=William)

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