DIANN 2.2 results (from HPC) upload into Skyline (windows)

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DIANN 2.2 results (from HPC) upload into Skyline (windows) Tomas Vaisar  2025-12-05 15:19
 
Hi Skyline team,
I ran DIANN v2.2 analysis of ~500 files on HPC and would like to upload the results into Skyline. I was able to upload DIANN (v 1.8) results from a local run (Import DIA peptide search) without problem, but with the HPC data I get error when loading the xxx.parquet.skyline.speclib file indicating that "Global.Q.Value" is missing from the parquet file.
Below is the whole error message.
Besides this - any other suggestions for the use of the DIANN results from a different computer? I imagine some issues with mismatch of the path to raw files between the DIANN results parquet file from HPC and the actual location of the raw files (this is Thermo data) on the local machine might arise.
 
Thanks,
Tomas
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Skyline
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ERROR: file S221TRL_MBRnonormfinal.lib.parquet does not have a column called Global.Q.Value

Command-line: C:\Users\vaisarlab\AppData\Local\Apps\2.0\RQRK0R33.21C\N01DRB58.K6P\skyl..tion_9286511f3362df93_0019.0001_e71402c3ddc399fe\BlibBuild -s -A -H -o -c 0.95 -i Skyline_DIANNSamplesMBRnonorm -S "D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4\Skyline_DIANNSamplesMBRnonorm.redundant202512050313.stdin.txt" "D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4\Skyline_DIANNSamplesMBRnonorm.redundant.blib"
Working directory: D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4
Exit code: -2147483645
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OK More Info
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Skyline (64-bit) 25.1.0.237 (519d29babc)

System.IO.IOException: ERROR: file S221TRL_MBRnonormfinal.lib.parquet does not have a column called Global.Q.Value

Command-line: C:\Users\vaisarlab\AppData\Local\Apps\2.0\RQRK0R33.21C\N01DRB58.K6P\skyl..tion_9286511f3362df93_0019.0001_e71402c3ddc399fe\BlibBuild -s -A -H -o -c 0.95 -i Skyline_DIANNSamplesMBRnonorm -S "D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4\Skyline_DIANNSamplesMBRnonorm.redundant202512050313.stdin.txt" "D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4\Skyline_DIANNSamplesMBRnonorm.redundant.blib"
Working directory: D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4
Exit code: -2147483645 ---> System.IO.IOException: ERROR: file S221TRL_MBRnonormfinal.lib.parquet does not have a column called Global.Q.Value

Command-line: C:\Users\vaisarlab\AppData\Local\Apps\2.0\RQRK0R33.21C\N01DRB58.K6P\skyl..tion_9286511f3362df93_0019.0001_e71402c3ddc399fe\BlibBuild -s -A -H -o -c 0.95 -i Skyline_DIANNSamplesMBRnonorm -S "D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4\Skyline_DIANNSamplesMBRnonorm.redundant202512050313.stdin.txt" "D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4\Skyline_DIANNSamplesMBRnonorm.redundant.blib"
Working directory: D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4
Exit code: -2147483645

Output:
Reading results from S221TRL_MBRnonormfinal.lib.parquet.skyline.speclib.
Read 18012 entries from speclib.
ERROR: file S221TRL_MBRnonormfinal.lib.parquet does not have a column called Global.Q.Value

 ---> System.IO.IOException: ERROR: file S221TRL_MBRnonormfinal.lib.parquet does not have a column called Global.Q.Value

Command-line: C:\Users\vaisarlab\AppData\Local\Apps\2.0\RQRK0R33.21C\N01DRB58.K6P\skyl..tion_9286511f3362df93_0019.0001_e71402c3ddc399fe\BlibBuild -s -A -H -o -c 0.95 -i Skyline_DIANNSamplesMBRnonorm -S "D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4\Skyline_DIANNSamplesMBRnonorm.redundant202512050313.stdin.txt" "D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4\Skyline_DIANNSamplesMBRnonorm.redundant.blib"
Working directory: D:\OneDrive - UW\og_vaisarlab - Study 221 LookAHEAD TRLs - Study 221 LookAHEAD TRLs\Proteomics\DIANNresults_MBRnonormDec4
Exit code: -2147483645
   at pwiz.Common.SystemUtil.ProcessRunner.Run(ProcessStartInfo psi, String stdin, IProgressMonitor progress, IProgressStatus& status, TextWriter writer, ProcessPriorityClass priorityClass, Boolean forceTempfilesCleanup, Func`3 outputAndExitCodeAreGoodFunc, Boolean updateProgressPercentage) in C:\proj\skyline_25_1\pwiz_tools\Shared\CommonUtil\SystemUtil\ProcessRunner.cs:line 206
   --- End of inner exception stack trace ---
   --- End of inner exception stack trace ---
   at pwiz.Common.SystemUtil.ProcessRunner.ThrowExceptionWithOutput(Exception exception, String output) in C:\proj\skyline_25_1\pwiz_tools\Shared\CommonUtil\SystemUtil\ProcessRunner.cs:line 266
   at pwiz.Common.SystemUtil.ProcessRunner.Run(ProcessStartInfo psi, String stdin, IProgressMonitor progress, IProgressStatus& status, TextWriter writer, ProcessPriorityClass priorityClass, Boolean forceTempfilesCleanup, Func`3 outputAndExitCodeAreGoodFunc, Boolean updateProgressPercentage) in C:\proj\skyline_25_1\pwiz_tools\Shared\CommonUtil\SystemUtil\ProcessRunner.cs:line 248
   at pwiz.BiblioSpec.BlibBuild.BuildLibrary(LibraryBuildAction libraryBuildAction, IProgressMonitor progressMonitor, IProgressStatus& status, String& commandArgs, String& messageLog, String[]& ambiguous) in C:\proj\skyline_25_1\pwiz_tools\Shared\BiblioSpec\BlibBuild.cs:line 493
   at pwiz.Skyline.Model.Lib.BiblioSpecLiteBuilder.BuildLibrary(IProgressMonitor progress) in C:\proj\skyline_25_1\pwiz_tools\Skyline\Model\Lib\BiblioSpecLiteBuilder.cs:line 152
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Nick Shulman responded:  2025-12-05 15:29
You might be able to get this to work by deleting the file "S221TRL_MBRnonormfinal.lib.parquet".

BiblioSpec does not have a reliable way to figure out which .parquet file goes with the .speclib file that you are trying to build a library from. BiblioSpec tries to do it by looking at files which have similar names. If BiblioSpec is picking the wrong file you might be able to get it to pick the correct file by deleting the incorrect file it was choosing.

Here is an example of a long support thread where a few people had similar sort of errors:
https://skyline.ms/announcements/home/support/thread.view?rowId=69554

If you send us all of your files we can also help you figure out what is going wrong.
You can zip everything up and upload it here:
https://skyline.ms/files.url
-- Nick
 
Tomas Vaisar responded:  2025-12-05 15:48
Thanks for a quick response Nick.
Indeed this worked like a charm - renamed that parquet file and all worked well (so far.. the raw files are still loading....).

Cheers,
Tomas