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Edit > Integration > Peak Imputation menu item #3119

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Nicholas Shulman added 30 commits May 17, 2024 16:29
…on settings causes the .skyd file to be read.
Nicholas Shulman and others added 25 commits May 22, 2024 22:40
…scoreErrorTest' into Skyline/work/20240517_SimplerPeakImputation
Add Peak Width variation option
Add "AlignmentStandardTime" to MoleculePeaks
…3029)

* fixed Reader_Bruker_TSF not being included in FullReaderList (so its supported file extensions did not get enumerated by SeeMS and MSConvertGUI)
…f(unknownInstrumentIsError) throw; else print warning" logic

- made failures reading WIFF metadata optionally fatal (depending on ignoreUnknownInstrumentError setting)
- fixed ignoreUnknownInstrumentError default value to be false
- fixed reading CE from WIFF file spectra
- added fallback handling for when calling centroiding or framing zeros on WIFF2 spectra throws exceptions but the profile/unframed spectra are available
Change encoding to UTF-8 no byte order mark
Replace tabs in comments with two spaces
Remove text nodes from top-level elements and reformat XML

Added C# project for command line tool "pwiz_tools\Skyline\Executables\DevTools\NormalizeResxWhitespace"
Remove duplicate entries that have the same "Name" attribute
Remove "xml:space" attributes that are in the wrong place.

These changes will cause the diff in PR #3032 to be smaller
Fix strings that have changed from v23.1.
In general, resources whose English text has changed from v23.1 have had their localized text replaced with the English.
<comment> tags have been added to the .ja and .zh-CHS .resx files with "Needs Review:" in the comment.

The "ResourcesOrganizer" tool (pwiz_tools\Skyline\Executables\DevTools\ResourcesOrganizer) will find those resources and include them in .csv files that we will send to localizers.
Fixed Skyline uses too much memory outputting report with "Normalized Area" column when document has Peptide Quantification regression method set to something other than "None" (reported by Genn)

This change allows the "RowItem" objects that contain the objects in the report to be garbage collected right after they are written. This enables the "CalibrationCurveFitter" held onto by "pwiz.Skyline.Model.Databinding.Entities.Peptide" to be collected.
Update audit log files for a few tests which SkylineTester didn't think were tutorials.
…3053)

* Skyline: Fix window widths for Agilent method/list export
- Agilent reported that halving the window width was a mistake
Fixed potential hang extracting chromatograms when some protein groups have proteins with nonstandard accession numbers (reported by Mike)
…to Skyline/work/20240517_SimplerPeakImputation
@brendanx67
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I think I prefer this on the Refine menu with Refine > Reintegrate. Something like:
Impute Integration
Impute Peaks
It doesn't really feel like an Edit operation.

@nickshulman
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I think I prefer this on the Refine menu with Refine > Reintegrate.

I originally had this on the "Refine" menu but I moved it to "Edit > Integration" because what it does is so similar to what "Apply peak to all" does.
You use "Apply peak to all" when you know that the correct peak is chosen in the currently selected replicate. You use "Peak Imputation" when you want Skyline to figure out which replicate has the best peak.
They became more similar once "Apply peak to all" was changed to work on multiple peptides selected in the Targets tree.

But, yes, "Refine" is also a place that it would make sense to put this menu item.

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3 participants