Failure on results import

support
Failure on results import sarah flannery  2025-02-10 10:06
 

Hello,

I have a batch of raw data that I am trying to import into Skyline. Some files import fine, whereas others show the chromatograms importing but then fail at the end, giving the following message:

At 17:44:
Failed importing results file 'C:\Users\sflannery\Documents\Temp_search_folder\TTP0700_MSQ2951_Pierfrancesco_20250207_PatientPilot_01A_1ugCo-digest_S1-E1_1_66011.d'.
Index was out of range. Must be non-negative and less than the size of the collection.
Parameter name: index
pwiz.Skyline.Model.Results.ChromCacheBuildException: Failed importing results file 'C:\Users\sflannery\Documents\Temp_search_folder\TTP0700_MSQ2951_Pierfrancesco_20250207_PatientPilot_01A_1ugCo-digest_S1-E1_1_66011.d'.
Index was out of range. Must be non-negative and less than the size of the collection.
Parameter name: index ---> System.ArgumentOutOfRangeException: Index was out of range. Must be non-negative and less than the size of the collection.
Parameter name: index
at System.ThrowHelper.ThrowArgumentOutOfRangeException(ExceptionArgument argument, ExceptionResource resource)
at pwiz.Skyline.Model.Results.ChromDataSet.get_BestChromatogram() in C:\proj\skyline_24_1\pwiz_tools\Skyline\Model\Results\ChromDataSet.cs:line 89
at pwiz.Skyline.Model.Results.ChromDataSet.SetBestPeak(ChromDataPeakList peakSet, PeptideChromDataPeak bestPeptidePeak, Int32 indexSet) in C:\proj\skyline_24_1\pwiz_tools\Skyline\Model\Results\ChromDataSet.cs:line 1207
at pwiz.Skyline.Model.Results.PeptideChromDataSets.PickPeptidePeaks(ICollection1 dataSets) in C:\proj\skyline_24_1\pwiz_tools\Skyline\Model\Results\PeptideChromData.cs:line 601 at pwiz.Skyline.Model.Results.PeptideChromDataSets.PickChromatogramPeaks(ExplicitPeakBoundsFunc explicitPeakBoundsFunc) in C:\proj\skyline_24_1\pwiz_tools\Skyline\Model\Results\PeptideChromData.cs:line 223 at pwiz.Skyline.Model.Results.ChromCacheBuilder.ScoreWriteChromDataSets(PeptideChromDataSets chromDataSets, Int32 threadIndex) in C:\proj\skyline_24_1\pwiz_tools\Skyline\Model\Results\ChromCacheBuilder.cs:line 107 at pwiz.Common.SystemUtil.ProducerConsumerWorker2.Consume(Object threadIndex) in C:\proj\skyline_24_1\pwiz_tools\Shared\CommonUtil\SystemUtil\ProducerConsumerWorker.cs:line 186
--- End of inner exception stack trace ---
at pwiz.Skyline.Model.Results.ChromCacheBuilder.PostChromDataSet(PeptideChromDataSets chromDataSet) in C:\proj\skyline_24_1\pwiz_tools\Skyline\Model\Results\ChromCacheBuilder.cs:line 1288
at pwiz.Skyline.Model.Results.ChromCacheBuilder.Read(ChromDataProvider provider) in C:\proj\skyline_24_1\pwiz_tools\Skyline\Model\Results\ChromCacheBuilder.cs:line 433
at pwiz.Skyline.Model.Results.ChromCacheBuilder.BuildCache() in C:\proj\skyline_24_1\pwiz_tools\Skyline\Model\Results\ChromCacheBuilder.cs:line 256

This is timstof PRM data (.d). I have tried converting to another file format but get the same error. The data will open in Bruker DataAnalysis.
Skyline version is 24.1.0.199

If anyone has any insight I would be very grateful!

Many thanks,
SF

 
 
Nick Shulman responded:  2025-02-10 10:15
Can you send us your Skyline document and that "TTP0700_MSQ2951_Pierfrancesco_20250207_PatientPilot_01A_1ugCo-digest_S1-E1_1_66011.d" folder?
In Skyline you can use the menu item:
File > Share
to create a .zip file containing your Skyline document and supporting files including extracted chromatograms.

The Share Document dialog also gives you the option of including the raw data in the .zip file. However, because you were unable to successfully extract chromatograms, you will not be given the option of including the raw data, so you will have to zip that .d folder up separately and send it to us.

Files which are less than 50MB can be attached to these support requests.
You can always upload larger files here:
https://skyline.ms/files.url

After we see your Skyline document and .d folder we will probably be able to figure out what is going wrong. This definitely looks like a bug in Skyline.
-- Nick
 
sarah flannery responded:  2025-02-11 02:12
Hi Nick,

Thank you very much for getting back to me. Here are the files (hopefully...it didn't work last time)

SF
 
sarah flannery responded:  2025-02-11 02:15
I have now uploaded the raw file to the temp repository
 
Nick Shulman responded:  2025-02-11 06:57
SF,

Thank you for uploading that zipped up .d folder.

Can you also send me a .sky.zip file?
In Skyline you can use the menu item:
File > Share
to create a .sky.zip file containing your Skyline document and a few supporting files.
After I see your Skyline document along with the .d folder that you already sent I will probably be able to figure out what is going wrong.
-- Nick
 
sarah flannery responded:  2025-02-11 07:16
Oops, I thought that upload had worked. It's uploaded now.

Many thanks for your help!

Sarah
 
Nick Shulman responded:  2025-02-11 07:44
Thank you for sending that Skyline document.
This error seems to be caused by the fact that the Explicit Retention Time has been set on many of your peptides and, in some of those cases, the Explicit Retention Time does not coincide with the retention time range over which matching MS2 spectra were found.
You might have noticed that when you extract chromatograms you see a bunch of messages in the Immediate Window in Skyline saying things like:
Discarding chromatograms for 'EIINVGHSFHVNFEDNDNR Charge 3 (heavy) ' because the explicit retention time 11.35478333 is not between 0.02943628 and 0.1003817

It is recommended that you not set the "Explicit Retention Time" in proteomics experiments because setting that value forces Skyline to do some things that might not be appropriate. One thing is that if, after extracting the chromatogram, Skyline notices that the time range over which the chromatogram was extracted does not overlap with the specified Explicit Retention Time, Skyline discards the chromatogram that was extracted. The other is that when Skyline is choosing a peak, Skyline will always choose a detected peak which overlaps with the Explicit Retention Time, even if there is another peak close by which looks even better.

There also seems to be a bug where you get the "ArgumentOutOfRangeException" error that you are seeing when Skyline discards the chromatograms for a particular peptide. I will try to fix this bug soon.
-- Nick
 
sarah flannery responded:  2025-02-11 08:16
Hi Nick,

Fantastic - I removed the explicit RTs and it works now! Many thanks for the advice as well.

All the best,
Sarah