Nesvilab / FragPipe

A cross-platform proteomics data analysis suite
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DIA-Umpire errors: Spectral file reading due to non-US local format #415

Closed MiguelCos closed 3 years ago

MiguelCos commented 3 years ago

Hello,

We are trying to generate a spectral library using DIA-Umpire from DDA files that were acquired following a gas-phase-fractionation method for library generation (scanning 100m/z areas with 25 windows at 4m/z).

The execution stops when loading the first mzML file:

WARNING: An illegal reflective access operation has occurred
WARNING: Illegal reflective access by org.nustaq.serialization.FSTClazzInfo (file:/C:/Data_analysis_software/FragPipe/fragpipe_v16_2021_07_26/fragpipe/tools/DIA_Umpire_SE-2.2.1.jar) to field java.lang.String.value
WARNING: Please consider reporting this to the maintainers of org.nustaq.serialization.FSTClazzInfo
WARNING: Use --illegal-access=warn to enable warnings of further illegal reflective access operations
WARNING: All illegal access operations will be denied in a future release
2021-07-28 11:50:08,942 ERROR [root] java.lang.NumberFormatException: For input string: "402,432800"
    at java.base/jdk.internal.math.FloatingDecimal.readJavaFormatString(Unknown Source)
    at java.base/jdk.internal.math.FloatingDecimal.parseFloat(Unknown Source)
    at java.base/java.lang.Float.parseFloat(Unknown Source)
    at MSUmpire.SpectrumParser.mzXMLParser.ParseElutionIndex(mzXMLParser.java:887)
    at MSUmpire.SpectrumParser.mzXMLParser.ReadElutionAndScanIndex(mzXMLParser.java:633)
    at MSUmpire.SpectrumParser.mzXMLParser.<init>(mzXMLParser.java:622)
    at MSUmpire.SpectrumParser.SpectrumParserBase.GetInstance(SpectrumParserBase.java:84)
    at MSUmpire.DIA.DIAPack.GetSpectrumParser(DIAPack.java:162)
    at MSUmpire.DIA.DIAPack.BuildDIAWindows(DIAPack.java:184)
    at MSUmpire.DIA.DIAPack.process(DIAPack.java:176)
    at dia_umpire_se.DIA_Umpire_SE.main(DIA_Umpire_SE.java:376)

2021-07-28 11:50:08,942 ERROR [root] Read spectral file:D:\tmp-MQ\TW\lasttry\TW-GBM_GPF_1.mzML failed.
Process 'UmpireSe' finished, exit code: 2
Process returned non-zero exit code, stopping

~~~~~~~~~~~~~~~~~~~~
Cancelling 277 remaining tasks

We are using a Windows Server 2019 machine with multiple users, and curiously, the error seems to not be consistent between server users. We first found the error while executing FragPipe from a User session. The same workflow with the same files is not crashing when executed by a system admin. We tried giving admin rights to the initial user, but the error is consistent on his end.

We are using FragPipe v16 and EasyPQP 0.1.21.

I am attaching the log file here.

I would appreciate your support!

Best, Miguel

log_2021-07-28_11-50-09_TW.txt

fcyu commented 3 years ago

Hi Miguel,

It looks like your computer is set to use "," as the decimal separator. You need to change the configuration to use "." as the decimal separator.

Also, if your GPF data has overlapped windows, like 2 m/z of adjacent windows are overlapped, you need to add a demultiplexing filter in msconvert conversion.

The last thing I want to mention is that you can try the MSFragger-DIA narrow window SpecLib workflow, which is supposed to be better for the GPF data compared to DIA-Umpire.

Best,

Fengchao

On Wed, Jul 28, 2021 at 6:33 AM Miguel Cosenza-Contreras < @.***> wrote:

Hello,

We are trying to generate a spectral library using DIA-Umpire from DDA files that were acquired following a gas-phase-fractionation method for library generation (scanning 100m/z areas with 25 windows at 4m/z).

The execution stops when loading the first mzML file:

WARNING: An illegal reflective access operation has occurred WARNING: Illegal reflective access by org.nustaq.serialization.FSTClazzInfo (file:/C:/Data_analysis_software/FragPipe/fragpipe_v16_2021_07_26/fragpipe/tools/DIA_Umpire_SE-2.2.1.jar) to field java.lang.String.value WARNING: Please consider reporting this to the maintainers of org.nustaq.serialization.FSTClazzInfo WARNING: Use --illegal-access=warn to enable warnings of further illegal reflective access operations WARNING: All illegal access operations will be denied in a future release 2021-07-28 11:50:08,942 ERROR [root] java.lang.NumberFormatException: For input string: "402,432800" at java.base/jdk.internal.math.FloatingDecimal.readJavaFormatString(Unknown Source) at java.base/jdk.internal.math.FloatingDecimal.parseFloat(Unknown Source) at java.base/java.lang.Float.parseFloat(Unknown Source) at MSUmpire.SpectrumParser.mzXMLParser.ParseElutionIndex(mzXMLParser.java:887) at MSUmpire.SpectrumParser.mzXMLParser.ReadElutionAndScanIndex(mzXMLParser.java:633) at MSUmpire.SpectrumParser.mzXMLParser.(mzXMLParser.java:622) at MSUmpire.SpectrumParser.SpectrumParserBase.GetInstance(SpectrumParserBase.java:84) at MSUmpire.DIA.DIAPack.GetSpectrumParser(DIAPack.java:162) at MSUmpire.DIA.DIAPack.BuildDIAWindows(DIAPack.java:184) at MSUmpire.DIA.DIAPack.process(DIAPack.java:176) at dia_umpire_se.DIA_Umpire_SE.main(DIA_Umpire_SE.java:376)

2021-07-28 11:50:08,942 ERROR [root] Read spectral file:D:\tmp-MQ\TW\lasttry\TW-GBM_GPF_1.mzML failed. Process 'UmpireSe' finished, exit code: 2 Process returned non-zero exit code, stopping


Cancelling 277 remaining tasks

We are using a Windows Server 2019 machine with multiple users, and
curiously, the error seems to not be consistent between server users. We
first found the error while executing FragPipe from a User session. The
same workflow with the same files is not crashing when executed by a system
admin. We tried giving admin rights to the initial user, but the error is
consistent on his end.

We are using FragPipe v16 and EasyPQP 0.1.21.

I am attaching the log file here.

I would appreciate your support!

Best,
Miguel

log_2021-07-28_11-50-09_TW.txt
<https://github.com/Nesvilab/FragPipe/files/6892304/log_2021-07-28_11-50-09_TW.txt>

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-- Dr. Fengchao Yu Research Investigator University of Michigan

xbisteau commented 3 years ago

Hi Fengchao,

I runned on the exact same issue than Miguel in Fragpipe V16.0 but even with following your advices I still have the same issues. Actually I do not have this issue with fragpipe V15 and all the file were processed smoothly by DIAumpire. Do you have idea what changed between both versions? Thanks Xavier

fcyu commented 3 years ago

Hi Xavier,

Can you send us the log file?

Thanks,

Fengchao

On Tue, 3 Aug 2021 at 5:52 AM, xbisteau @.***> wrote:

Hi Fengchao,

I runned on the exact same issue than Miguel in Fragpipe V16.0 but even with following your advices I still have the same issues. Actually I do not have this issue with fragpipe V15 and all the file were processed smoothly by DIAumpire. Do you have idea what changed between both versions? Thanks Xavier

— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/Nesvilab/FragPipe/issues/415#issuecomment-891705566, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABU27W435CC2OFW3E264EWTT2636DANCNFSM5BECJYOA . Triage notifications on the go with GitHub Mobile for iOS https://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675 or Android https://play.google.com/store/apps/details?id=com.github.android&utm_campaign=notification-email .

-- Dr. Fengchao Yu Research Investigator University of Michigan

xbisteau commented 3 years ago

System OS: Windows 10, Architecture: AMD64 Java Info: 11.0.9.1, OpenJDK 64-Bit Server VM, AdoptOpenJDK

Version info: FragPipe version 16.0 MSFragger version 3.3 Philosopher version 4.0.0 (build 1626989421)

LCMS files: Experiment/Group:

34 commands to execute: CheckCentroid C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -Xmx116G -cp "C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;C:\Softwares\FragPipe_V16.0\tools\batmass-io-1.23.4.jar" com.dmtavt.fragpipe.util.CheckCentroid C:\temp\MS_8_E1_S1_swath.mzML 19 UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -Xmx116G -Dlibs.thermo.dir="C:\Softwares\FragPipe_V16.0\tools\MSFragger-3.3\ext\thermo" -cp "C:\Softwares\FragPipe_V16.0\tools\DIA_Umpire_SE-2.2.1.jar;C:\Softwares\FragPipe_V16.0\tools\batmass-io-1.23.4.jar" dia_umpire_se.DIA_Umpire_SE C:\temp\MS_8_E1_S1_swath.mzML D:\tempMS\umpire-se.params UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\diaumpire_se.log D:\tempMS\diaumpire_se.log UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_Peak D:\tempMS\MS_8_E1_S1_swath_Peak UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath.DIAWindowsFS D:\tempMS\MS_8_E1_S1_swath.DIAWindowsFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath.RTidxFS D:\tempMS\MS_8_E1_S1_swath.RTidxFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath.ScanClusterMapping_Q1 D:\tempMS\MS_8_E1_S1_swath.ScanClusterMapping_Q1 UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath.ScanClusterMapping_Q2 D:\tempMS\MS_8_E1_S1_swath.ScanClusterMapping_Q2 UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath.ScanClusterMapping_Q3 D:\tempMS\MS_8_E1_S1_swath.ScanClusterMapping_Q3 UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath.ScanidxFS D:\tempMS\MS_8_E1_S1_swath.ScanidxFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath.ScanPosFS D:\tempMS\MS_8_E1_S1_swath.ScanPosFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath.ScanRTFS D:\tempMS\MS_8_E1_S1_swath.ScanRTFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_diasetting.ser D:\tempMS\MS_8_E1_S1_swath_diasetting.ser UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_params.ser D:\tempMS\MS_8_E1_S1_swath_params.ser UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_Q1.mgf D:\tempMS\MS_8_E1_S1_swath_Q1.mgf UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_Q2.mgf D:\tempMS\MS_8_E1_S1_swath_Q2.mgf UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_Q3.mgf D:\tempMS\MS_8_E1_S1_swath_Q3.mgf UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_Q1.mzML D:\tempMS\MS_8_E1_S1_swath_Q1.mzML UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_Q2.mzML D:\tempMS\MS_8_E1_S1_swath_Q2.mzML UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;/C:/Softwares/FragPipe_V16.0/lib/commons-io-2.6.jar com.github.chhh.utils.FileMove C:\temp\MS_8_E1_S1_swath_Q3.mzML D:\tempMS\MS_8_E1_S1_swath_Q3.mzML UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath_Peak UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath.DIAWindowsFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath.RTidxFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath.ScanClusterMapping_Q1 UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath.ScanClusterMapping_Q2 UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath.ScanClusterMapping_Q3 UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath.ScanidxFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath.ScanPosFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath.ScanRTFS UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath_diasetting.ser UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath_params.ser UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath_Q1.mgf UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath_Q2.mgf UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -cp C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar com.github.chhh.utils.FileDelete D:\tempMS\MS_8_E1_S1_swath_Q3.mgf


Execution order:

    Cmd: [START], Work dir: [D:\tempMS]
    Cmd: [CheckCentroid], Work dir: [D:\tempMS]
    Cmd: [UmpireSe], Work dir: [D:\tempMS]
# FragPipe v16.0ui state cache

AdjustFragIntensity=true
BoostComplementaryIon=false
CorrThreshold=0
DeltaApex=0.2
ExportPrecursorPeak=false
RFmax=500
RPmax=25
RTOverlap=0.3
SE.EstimateBG=false
SE.IsoPattern=0.3
SE.MS1PPM=10
SE.MS2PPM=20
SE.MS2SN=1.1
SE.MassDefectFilter=true
SE.MassDefectOffset=0.1
SE.NoMissedScan=1
SE.SN=1.1
crystalc.run-crystalc=false
database.db-path=C\:\\Softwares\\Uniprot.Proteome.FASTA\\2021-02-24-decoys-reviewed-contam-Human_UP000005640.fas
database.decoy-tag=rev_
diaumpire.AdjustFragIntensity=true
diaumpire.BoostComplementaryIon=true
diaumpire.CorrThreshold=0.2
diaumpire.DeltaApex=0.6
diaumpire.ExportPrecursorPeak=false
diaumpire.Q1=true
diaumpire.Q2=true
diaumpire.Q3=true
diaumpire.RFmax=500
diaumpire.RPmax=25
diaumpire.RTOverlap=0.3
diaumpire.SE.EstimateBG=false
diaumpire.SE.IsoPattern=0.3
diaumpire.SE.MS1PPM=30
diaumpire.SE.MS2PPM=40
diaumpire.SE.MS2SN=2
diaumpire.SE.MassDefectFilter=true
diaumpire.SE.MassDefectOffset=0.1
diaumpire.SE.NoMissedScan=1
diaumpire.SE.SN=2
diaumpire.run-diaumpire=true
fragpipe-config.bin-msfragger=C\:\\Softwares\\FragPipe_V16.0\\tools\\MSFragger-3.3\\MSFragger-3.3.jar
fragpipe-config.bin-philosopher=C\:\\Softwares\\FragPipe_V16.0\\tools\\philosopher\\philosopher.exe
fragpipe-config.bin-python=C\:\\ProgramData\\Anaconda3\\python
freequant.mz-tol=10
freequant.rt-tol=0.4
freequant.run-freequant=true
ionquant.excludemods=
ionquant.heavy=
ionquant.imtol=0.05
ionquant.ionfdr=0.01
ionquant.light=
ionquant.mbr=0
ionquant.mbrimtol=0.05
ionquant.mbrmincorr=0.5
ionquant.mbrrttol=1
ionquant.mbrtoprun=10
ionquant.medium=
ionquant.minexps=1
ionquant.minfreq=0.5
ionquant.minions=2
ionquant.minisotopes=2
ionquant.minscans=3
ionquant.mztol=10
ionquant.normalization=1
ionquant.peptidefdr=0.01
ionquant.proteinfdr=0.01
ionquant.proteinquant=2
ionquant.requantify=1
ionquant.rttol=0.4
ionquant.run-ionquant=false
ionquant.tp=3
ionquant.writeindex=0
msfragger.Y_type_masses=
msfragger.add_topN_complementary=0
msfragger.allowed_missed_cleavage=2
msfragger.calibrate_mass=2
msfragger.clip_nTerm_M=true
msfragger.data_type=0
msfragger.deisotope=1
msfragger.delta_mass_exclude_ranges=(-1.5,3.5)
msfragger.deneutralloss=1
msfragger.diagnostic_fragments=
msfragger.diagnostic_intensity_filter=0
msfragger.digest_max_length=50
msfragger.digest_min_length=7
msfragger.fragment_ion_series=b,y
msfragger.fragment_mass_tolerance=20
msfragger.fragment_mass_units=1
msfragger.intensity_transform=1
msfragger.ion_series_definitions=
msfragger.isotope_error=0/1
msfragger.labile_search_mode=off
msfragger.localize_delta_mass=false
msfragger.mass_diff_to_variable_mod=0
msfragger.mass_offsets=0
msfragger.max_fragment_charge=2
msfragger.max_variable_mods_combinations=5000
msfragger.max_variable_mods_per_peptide=3
msfragger.min_fragments_modelling=2
msfragger.min_matched_fragments=4
msfragger.minimum_peaks=15
msfragger.minimum_ratio=0.00
msfragger.misc.fragger.clear-mz-hi=0
msfragger.misc.fragger.clear-mz-lo=0
msfragger.misc.fragger.digest-mass-hi=5000
msfragger.misc.fragger.digest-mass-lo=500
msfragger.misc.fragger.enzyme-dropdown=stricttrypsin
msfragger.misc.fragger.precursor-charge-hi=4
msfragger.misc.fragger.precursor-charge-lo=1
msfragger.misc.fragger.remove-precursor-range-hi=1.5
msfragger.misc.fragger.remove-precursor-range-lo=-1.5
msfragger.misc.slice-db=1
msfragger.num_enzyme_termini=2
msfragger.output_format=pepXML
msfragger.output_max_expect=50
msfragger.output_report_topN=1
msfragger.override_charge=false
msfragger.precursor_mass_lower=-20
msfragger.precursor_mass_mode=selected
msfragger.precursor_mass_units=1
msfragger.precursor_mass_upper=20
msfragger.precursor_true_tolerance=20
msfragger.precursor_true_units=1
msfragger.remove_precursor_peak=0
msfragger.report_alternative_proteins=false
msfragger.restrict_deltamass_to=all
msfragger.run-msfragger=false
msfragger.search_enzyme_butnotafter=
msfragger.search_enzyme_cutafter=KR
msfragger.search_enzyme_name=stricttrypsin
msfragger.table.fix-mods=0.000000,C-Term Peptide,true,-1; 0.000000,N-Term Peptide,true,-1; 0.000000,C-Term Protein,true,-1; 0.000000,N-Term Protein,true,-1; 0.000000,G (glycine),true,-1; 0.000000,A (alanine),true,-1; 0.000000,S (serine),true,-1; 0.000000,P (proline),true,-1; 0.000000,V (valine),true,-1; 0.000000,T (threonine),true,-1; 57.021460,C (cysteine),true,-1; 0.000000,L (leucine),true,-1; 0.000000,I (isoleucine),true,-1; 0.000000,N (asparagine),true,-1; 0.000000,D (aspartic acid),true,-1; 0.000000,Q (glutamine),true,-1; 0.000000,K (lysine),true,-1; 0.000000,E (glutamic acid),true,-1; 0.000000,M (methionine),true,-1; 0.000000,H (histidine),true,-1; 0.000000,F (phenylalanine),true,-1; 0.000000,R (arginine),true,-1; 0.000000,Y (tyrosine),true,-1; 0.000000,W (tryptophan),true,-1; 0.000000,B ,true,-1; 0.000000,J,true,-1; 0.000000,O,true,-1; 0.000000,U,true,-1; 0.000000,X,true,-1; 0.000000,Z,true,-1
msfragger.table.var-mods=15.994900,M,true,3; 42.010600,[^,true,1; 79.966330,STY,false,3; -17.026500,nQnC,false,1; -18.010600,nE,false,1; 4.025107,K,false,2; 6.020129,R,false,2; 8.014199,K,false,2; 10.008269,R,false,2; 0.000000,site_10,false,1; 0.000000,site_11,false,1; 0.000000,site_12,false,1; 0.000000,site_13,false,1; 0.000000,site_14,false,1; 0.000000,site_15,false,1; 0.000000,site_16,false,1
msfragger.track_zero_topN=0
msfragger.use_all_mods_in_first_search=false
msfragger.use_topN_peaks=200
msfragger.write_calibrated_mgf=false
msfragger.zero_bin_accept_expect=0
msfragger.zero_bin_mult_expect=1
peptide-prophet.cmd-opts=--decoyprobs --ppm --accmass --nonparam --expectscore
peptide-prophet.combine-pepxml=false
peptide-prophet.run-peptide-prophet=true
percolator.cmd-opts=--only-psms --no-terminate --post-processing-tdc
percolator.keep-tsv-files=false
percolator.run-percolator=false
phi-report.dont-use-prot-proph-file=false
phi-report.filter=--razor --picked --prot 0.01
phi-report.pep-level-summary=false
phi-report.philosoher-msstats=false
phi-report.print-decoys=false
phi-report.run-report=false
protein-prophet.cmd-opts=--maxppmdiff 2000000 --minprob 0.7
protein-prophet.run-protein-prophet=false
ptmprophet.cmdline=
ptmprophet.run-ptmprophet=false
ptmshepherd.annotation-common=false
ptmshepherd.annotation-custom=false
ptmshepherd.annotation-glyco=false
ptmshepherd.annotation-unimod=true
ptmshepherd.annotation_file=
ptmshepherd.annotation_tol=0.01
ptmshepherd.cap_y_ions=
ptmshepherd.diag_ions=
ptmshepherd.glyco_mode=false
ptmshepherd.histo_smoothbins=2
ptmshepherd.iontype_a=false
ptmshepherd.iontype_b=true
ptmshepherd.iontype_c=true
ptmshepherd.iontype_x=false
ptmshepherd.iontype_y=true
ptmshepherd.iontype_z=true
ptmshepherd.localization_allowed_res=
ptmshepherd.localization_background=4
ptmshepherd.normalization-psms=true
ptmshepherd.normalization-scans=false
ptmshepherd.output_extended=false
ptmshepherd.peakpicking_mass_units=0
ptmshepherd.peakpicking_minPsm=10
ptmshepherd.peakpicking_promRatio=0.3
ptmshepherd.peakpicking_width=0.002
ptmshepherd.precursor_mass_units=0
ptmshepherd.precursor_tol=0.01
ptmshepherd.remainder_masses=
ptmshepherd.run-shepherd=false
ptmshepherd.spectra_maxfragcharge=2
ptmshepherd.spectra_ppmtol=20
ptmshepherd.varmod_masses=Failed_Carbamidomethylation\:-57.021464
quantitation.run-label-free-quant=false
run-diaumpire=true
run-psm-validation=false
speclibgen.easypqp.extras.max_delta_ppm=15
speclibgen.easypqp.extras.max_delta_unimod=0.02
speclibgen.easypqp.extras.rt_lowess_fraction=0.1
speclibgen.easypqp.im-cal=Automatic selection of a run as reference IM
speclibgen.easypqp.rt-cal=noiRT
speclibgen.easypqp.select-file.text=
speclibgen.easypqp.select-im-file.text=
speclibgen.keep-intermediate-files=false
speclibgen.run-speclibgen=false
speclibgen.use-easypqp=true
speclibgen.use-spectrast=false
tmtintegrator.add_Ref=-1
tmtintegrator.aggregation_method=0
tmtintegrator.allow_overlabel=true
tmtintegrator.allow_unlabeled=true
tmtintegrator.best_psm=true
tmtintegrator.channel_num=6
tmtintegrator.dont-run-fq-lq=false
tmtintegrator.groupby=0
tmtintegrator.max_pep_prob_thres=0
tmtintegrator.min_ntt=0
tmtintegrator.min_pep_prob=0.9
tmtintegrator.min_percent=0.05
tmtintegrator.min_purity=0.5
tmtintegrator.min_site_prob=-1
tmtintegrator.mod_tag=none
tmtintegrator.ms1_int=true
tmtintegrator.outlier_removal=true
tmtintegrator.print_RefInt=false
tmtintegrator.prot_exclude=none
tmtintegrator.prot_norm=0
tmtintegrator.psm_norm=false
tmtintegrator.quant_level=2
tmtintegrator.ref_tag=Bridge
tmtintegrator.run-tmtintegrator=false
tmtintegrator.top3_pep=true
tmtintegrator.unique_gene=0
tmtintegrator.unique_pep=false
workdir=D\:\\tempMS
workflow.input.data-type.im-ms=false
workflow.input.data-type.regular-ms=true
workflow.ram=0
workflow.threads=19

CheckCentroid C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -Xmx116G -cp "C:\Softwares\FragPipe_V16.0\lib\fragpipe-16.0.jar;C:\Softwares\FragPipe_V16.0\tools\batmass-io-1.23.4.jar" com.dmtavt.fragpipe.util.CheckCentroid C:\temp\MS_8_E1_S1_swath.mzML 19 Done in 2785 ms. Process 'CheckCentroid' finished, exit code: 0 UmpireSe C:\Softwares\FragPipe_V16.0\jre\bin\java.exe -Xmx116G -Dlibs.thermo.dir="C:\Softwares\FragPipe_V16.0\tools\MSFragger-3.3\ext\thermo" -cp "C:\Softwares\FragPipe_V16.0\tools\DIA_Umpire_SE-2.2.1.jar;C:\Softwares\FragPipe_V16.0\tools\batmass-io-1.23.4.jar" dia_umpire_se.DIA_Umpire_SE C:\temp\MS_8_E1_S1_swath.mzML D:\tempMS\umpire-se.params

DIA-Umpire singal extraction analysis (version: v2.2.1) (c) University of Michigan 2021-08-04 07:57:23,772 INFO [root] Version: v2.2.1 2021-08-04 07:57:23,772 INFO [root] Parameter file:D:\tempMS\umpire-se.params 2021-08-04 07:57:23,772 INFO [root] Spectra file:C:\temp\MS_8_E1_S1_swath.mzML 2021-08-04 07:57:23,788 INFO [root] 2021-08-04 07:57:23,788 INFO [root] #################################################################################################### 2021-08-04 07:57:23,788 INFO [root] #No of threads 2021-08-04 07:57:23,788 INFO [root] Thread = 7 2021-08-04 07:57:23,788 INFO [root] #################################################################################################### 2021-08-04 07:57:23,788 INFO [root] 2021-08-04 07:57:23,788 INFO [root] ## omit Thread 2021-08-04 07:57:23,788 INFO [root] 2021-08-04 07:57:23,788 INFO [root] #Precursor-fragments grouping parameters 2021-08-04 07:57:23,788 INFO [root] RPmax = 25 2021-08-04 07:57:23,789 INFO [root] RFmax = 500 2021-08-04 07:57:23,789 INFO [root] CorrThreshold = 0 2021-08-04 07:57:23,789 INFO [root] DeltaApex = 0.2 2021-08-04 07:57:23,789 INFO [root] RTOverlap = 0.3 2021-08-04 07:57:23,789 INFO [root] 2021-08-04 07:57:23,789 INFO [root] #Fragment intensity adjustments 2021-08-04 07:57:23,789 INFO [root] # change BoostComplementaryIon if later using database search results to build libraries for Skyline/OpenSWATH 2021-08-04 07:57:23,790 INFO [root] AdjustFragIntensity = true 2021-08-04 07:57:23,790 INFO [root] BoostComplementaryIon = false 2021-08-04 07:57:23,790 INFO [root] 2021-08-04 07:57:23,790 INFO [root] #Export detected MS1 features (output feature file can be loaded and mapped to RAW data in BatMass) 2021-08-04 07:57:23,790 INFO [root] ExportPrecursorPeak = false 2021-08-04 07:57:23,790 INFO [root] 2021-08-04 07:57:23,790 INFO [root] Q1 = true 2021-08-04 07:57:23,790 INFO [root] Q2 = true 2021-08-04 07:57:23,790 INFO [root] Q3 = true 2021-08-04 07:57:23,790 INFO [root] 2021-08-04 07:57:23,790 INFO [root] #Signal extraction: mass accuracy and resolution 2021-08-04 07:57:23,790 INFO [root] # resolution parameter matters only for data generated in profile mode 2021-08-04 07:57:23,790 INFO [root] SE.MS1PPM = 10 2021-08-04 07:57:23,790 INFO [root] SE.MS2PPM = 20 2021-08-04 07:57:23,790 INFO [root] SE.Resolution = 60000 2021-08-04 07:57:23,790 INFO [root] 2021-08-04 07:57:23,790 INFO [root] #Signal extraction: signal to noise filter 2021-08-04 07:57:23,790 INFO [root] SE.SN = 1.1 2021-08-04 07:57:23,790 INFO [root] SE.MS2SN = 1.1 2021-08-04 07:57:23,790 INFO [root] 2021-08-04 07:57:23,790 INFO [root] #Signal extraction: minimum signal intensity filter 2021-08-04 07:57:23,791 INFO [root] # for Thermo data, filtering is usually not necessary. Set SE.EstimateBG to false and SE.MinMSIntensity and SE.MinMSMSIntensity to a low value, e.g. 1 2021-08-04 07:57:23,791 INFO [root] # for older Q Exactive data, or when too many MS1 features are extracted, set SE.EstimateBG to yes (or apply SE.MinMSIntensity and SE.MinMSMSIntensity values based on BatMass visualization) 2021-08-04 07:57:23,791 INFO [root] SE.EstimateBG = false 2021-08-04 07:57:23,791 INFO [root] SE.MinMSIntensity = 1 2021-08-04 07:57:23,791 INFO [root] SE.MinMSMSIntensity = 1 2021-08-04 07:57:23,792 INFO [root] 2021-08-04 07:57:23,792 INFO [root] #Signal extraction: peak curve detection and isotope grouping 2021-08-04 07:57:23,792 INFO [root] # for older Q Exactive data, or when too many MS1 features are extracted, set SE.NoMissedScan to 1 2021-08-04 07:57:23,792 INFO [root] SE.NoMissedScan = 1 2021-08-04 07:57:23,792 INFO [root] SE.MaxCurveRTRange = 2 2021-08-04 07:57:23,792 INFO [root] SE.RemoveGroupedPeaks = true 2021-08-04 07:57:23,793 INFO [root] SE.RemoveGroupedPeaksRTOverlap = 0.3 2021-08-04 07:57:23,793 INFO [root] SE.RemoveGroupedPeaksCorr = 0.3 2021-08-04 07:57:23,793 INFO [root] SE.MinNoPeakCluster = 2 2021-08-04 07:57:23,793 INFO [root] SE.MaxNoPeakCluster = 4 2021-08-04 07:57:23,793 INFO [root] 2021-08-04 07:57:23,793 INFO [root] #Signal extraction: filtering of MS1 features 2021-08-04 07:57:23,852 INFO [root] # if interested in modified peptides, increase MassDefectOffset parameter, or set SE.MassDefectFilter to false 2021-08-04 07:57:23,852 INFO [root] SE.IsoPattern = 0.3 2021-08-04 07:57:23,852 INFO [root] SE.MassDefectFilter = true 2021-08-04 07:57:23,852 INFO [root] SE.MassDefectOffset = 0.1 2021-08-04 07:57:23,852 INFO [root] 2021-08-04 07:57:23,853 INFO [root] #Signal extraction: other 2021-08-04 07:57:23,853 INFO [root] SE.StartCharge = 1 2021-08-04 07:57:23,853 INFO [root] SE.EndCharge = 5 2021-08-04 07:57:23,853 INFO [root] SE.MS2StartCharge = 2 2021-08-04 07:57:23,853 INFO [root] SE.MS2EndCharge = 5 2021-08-04 07:57:23,854 INFO [root] SE.MinFrag = 10 2021-08-04 07:57:23,854 INFO [root] SE.StartRT = 0 2021-08-04 07:57:23,854 INFO [root] SE.EndRT = 9999 2021-08-04 07:57:23,854 INFO [root] SE.MinMZ = 200 2021-08-04 07:57:23,854 INFO [root] SE.MinPrecursorMass = 600 2021-08-04 07:57:23,854 INFO [root] SE.MaxPrecursorMass = 5000 2021-08-04 07:57:23,854 INFO [root] 2021-08-04 07:57:23,854 INFO [root] 2021-08-04 07:57:23,854 INFO [root] #Isolation window setting 2021-08-04 07:57:23,855 INFO [root] #The current version supports the following window type: SWATH (fixed window size), V_SWATH (variable SWATH window), MSX, MSE, pSMART 2021-08-04 07:57:23,855 INFO [root] WindowType = SWATH 2021-08-04 07:57:23,855 INFO [root] 2021-08-04 07:57:23,855 INFO [root] #Fix window size (For SWATH) 2021-08-04 07:57:23,855 INFO [root] # for Thermo data, this will be determined from raw data automatically 2021-08-04 07:57:23,855 INFO [root] WindowSize = 10 2021-08-04 07:57:23,855 INFO [root] 2021-08-04 07:57:23,855 INFO [root] #Variable SWATH window setting (start m/z, end m/z, separated by Tab) 2021-08-04 07:57:23,855 INFO [root] # for Thermo data, this will be determined from raw data automatically 2021-08-04 07:57:23,855 INFO [root] ==window setting begin 2021-08-04 07:57:23,855 INFO [root] 2021-08-04 07:57:23,856 INFO [root] diaumpire.BoostComplementaryIon = true 2021-08-04 07:57:23,856 INFO [root] diaumpire.SE.MassDefectFilter = true 2021-08-04 07:57:23,856 INFO [root] diaumpire.SE.MassDefectOffset = 0.1 2021-08-04 07:57:23,856 INFO [root] diaumpire.RTOverlap = 0.3 2021-08-04 07:57:23,856 INFO [root] diaumpire.RFmax = 500 2021-08-04 07:57:23,856 INFO [root] diaumpire.RPmax = 25 2021-08-04 07:57:23,856 INFO [root] diaumpire.SE.MS1PPM = 30 2021-08-04 07:57:23,856 INFO [root] diaumpire.SE.EstimateBG = false 2021-08-04 07:57:23,857 INFO [root] diaumpire.AdjustFragIntensity = true 2021-08-04 07:57:23,857 INFO [root] diaumpire.ExportPrecursorPeak = false 2021-08-04 07:57:23,857 INFO [root] diaumpire.SE.NoMissedScan = 1 2021-08-04 07:57:23,857 INFO [root] diaumpire.CorrThreshold = 0.2 2021-08-04 07:57:23,857 INFO [root] diaumpire.SE.MS2PPM = 40 2021-08-04 07:57:23,857 INFO [root] diaumpire.SE.MS2SN = 2 2021-08-04 07:57:23,858 INFO [root] diaumpire.DeltaApex = 0.6 2021-08-04 07:57:23,858 INFO [root] diaumpire.SE.SN = 2 2021-08-04 07:57:23,858 INFO [root] diaumpire.Thread = 19 2021-08-04 07:57:23,858 INFO [root] diaumpire.SE.IsoPattern = 0.3 2021-08-04 07:57:23,858 INFO [root] ================================================================================================= 2021-08-04 07:57:23,858 INFO [root] Processing C:\temp\MS_8_E1_S1_swath.mzML.... 2021-08-04 07:57:23,867 INFO [root] Writing DIA setting to file:C:\temp\MS_8_E1_S1_swath_diasetting.ser... 2021-08-04 07:57:23,886 INFO [root] Writing parameter to file:C:\temp\MS_8_E1_S1_swath_params.ser... 2021-08-04 07:57:23,890 INFO [root] Module A: Signal extraction WARNING: An illegal reflective access operation has occurred WARNING: Illegal reflective access by org.nustaq.serialization.FSTClazzInfo (file:/C:/Softwares/FragPipe_V16.0/tools/DIA_Umpire_SE-2.2.1.jar) to field java.lang.String.value WARNING: Please consider reporting this to the maintainers of org.nustaq.serialization.FSTClazzInfo WARNING: Use --illegal-access=warn to enable warnings of further illegal reflective access operations WARNING: All illegal access operations will be denied in a future release 2021-08-04 07:57:37,282 ERROR [root] java.lang.NumberFormatException: For input string: "212,500000" at java.base/jdk.internal.math.FloatingDecimal.readJavaFormatString(Unknown Source) at java.base/jdk.internal.math.FloatingDecimal.parseFloat(Unknown Source) at java.base/java.lang.Float.parseFloat(Unknown Source) at MSUmpire.SpectrumParser.mzXMLParser.ParseElutionIndex(mzXMLParser.java:887) at MSUmpire.SpectrumParser.mzXMLParser.ReadElutionAndScanIndex(mzXMLParser.java:633) at MSUmpire.SpectrumParser.mzXMLParser.(mzXMLParser.java:622) at MSUmpire.SpectrumParser.SpectrumParserBase.GetInstance(SpectrumParserBase.java:84) at MSUmpire.DIA.DIAPack.GetSpectrumParser(DIAPack.java:162) at MSUmpire.DIA.DIAPack.BuildDIAWindows(DIAPack.java:184) at MSUmpire.DIA.DIAPack.process(DIAPack.java:176) at dia_umpire_se.DIA_Umpire_SE.main(DIA_Umpire_SE.java:376)

2021-08-04 07:57:37,283 ERROR [root] Read spectral file:C:\temp\MS_8_E1_S1_swath.mzML failed. Process 'UmpireSe' finished, exit code: 2 Process returned non-zero exit code, stopping


Cancelling 33 remaining tasks
fcyu commented 3 years ago

java.lang.NumberFormatException: For input string: "212,500000" indicates that the decimal separator is ,. You need to change your configuration.

Best,

Fengchao

xbisteau commented 3 years ago

Hi Fengchao,

Thanks for your comments.

As I mentioned already before this has been done. I have changed the decimal before converting the files And I still get the same issues over and over with Fragpipe V16

This is not happening with V15 with the exact same parameters and the same file.

Regards,

Xavier

From: Fengchao @.> Sent: Wednesday, 4 August 2021 15:55 To: Nesvilab/FragPipe @.> Cc: xbisteau @.>; Comment @.> Subject: Re: [Nesvilab/FragPipe] DIA-Umpire errors: Spectral file reading (#415)

java.lang.NumberFormatException: For input string: "212,500000" indicates that the decimal separator is ,. You need to change your configuration.

Best,

Fengchao

— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/Nesvilab/FragPipe/issues/415#issuecomment-892678754 , or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3NYI7O3HPTTNQXRUOO7YDT3FBCRANCNFSM5BECJYOA . Triage notifications on the go with GitHub Mobile for iOS https://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675 or Android https://play.google.com/store/apps/details?id=com.github.android&utm_campaign=notification-email . https://github.com/notifications/beacon/AG3NYI26VXIIGU6GSOH2DNLT3FBCRA5CNFSM5BECJYOKYY3PNVWWK3TUL52HS4DFVREXG43VMVBW63LNMVXHJKTDN5WW2ZLOORPWSZGOGU2TEYQ.gif

fcyu commented 3 years ago

If you can send us your files, we can take a look. But I don't think we changed anything regarding paring the numbers: we always use Java's Float.parserFloat() function.

Best,

Fengchao

On Wed, Aug 4, 2021 at 10:09 AM xbisteau @.***> wrote:

Hi Fengchao,

Thanks for your comments.

As I mentioned already before this has been done. I have changed the decimal before converting the files And I still get the same issues over and over with Fragpipe V16

This is not happening with V15 with the exact same parameters and the same file.

Regards,

Xavier

From: Fengchao @.> Sent: Wednesday, 4 August 2021 15:55 To: Nesvilab/FragPipe @.> Cc: xbisteau @.>; Comment @.> Subject: Re: [Nesvilab/FragPipe] DIA-Umpire errors: Spectral file reading (#415)

java.lang.NumberFormatException: For input string: "212,500000" indicates that the decimal separator is ,. You need to change your configuration.

Best,

Fengchao

— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/Nesvilab/FragPipe/issues/415#issuecomment-892678754> , or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3NYI7O3HPTTNQXRUOO7YDT3FBCRANCNFSM5BECJYOA> . Triage notifications on the go with GitHub Mobile for iOS < https://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675> or Android < https://play.google.com/store/apps/details?id=com.github.android&utm_campaign=notification-email> . < https://github.com/notifications/beacon/AG3NYI26VXIIGU6GSOH2DNLT3FBCRA5CNFSM5BECJYOKYY3PNVWWK3TUL52HS4DFVREXG43VMVBW63LNMVXHJKTDN5WW2ZLOORPWSZGOGU2TEYQ.gif>

— You are receiving this because you modified the open/close state. Reply to this email directly, view it on GitHub https://github.com/Nesvilab/FragPipe/issues/415#issuecomment-892690512, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABU27W6YWVUDICXE7ILHL5TT3FCYFANCNFSM5BECJYOA . Triage notifications on the go with GitHub Mobile for iOS https://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675 or Android https://play.google.com/store/apps/details?id=com.github.android&utm_campaign=notification-email .

-- Dr. Fengchao Yu Research Investigator University of Michigan

xbisteau commented 3 years ago

How can I send you the file?

From: Fengchao @.> Sent: Wednesday, 4 August 2021 16:12 To: Nesvilab/FragPipe @.> Cc: xbisteau @.>; Comment @.> Subject: Re: [Nesvilab/FragPipe] DIA-Umpire errors: Spectral file reading (#415)

If you can send us your files, we can take a look. But I don't think we changed anything regarding paring the numbers: we always use Java's Float.parserFloat() function.

Best,

Fengchao

On Wed, Aug 4, 2021 at 10:09 AM xbisteau @. <mailto:@.> > wrote:

Hi Fengchao,

Thanks for your comments.

As I mentioned already before this has been done. I have changed the decimal before converting the files And I still get the same issues over and over with Fragpipe V16

This is not happening with V15 with the exact same parameters and the same file.

Regards,

Xavier

From: Fengchao @. <mailto:@.> > Sent: Wednesday, 4 August 2021 15:55 To: Nesvilab/FragPipe @. <mailto:@.> > Cc: xbisteau @. <mailto:@.> >; Comment @. <mailto:@.> > Subject: Re: [Nesvilab/FragPipe] DIA-Umpire errors: Spectral file reading (#415)

java.lang.NumberFormatException: For input string: "212,500000" indicates that the decimal separator is ,. You need to change your configuration.

Best,

Fengchao

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fcyu commented 3 years ago

Please upload the files to https://www.dropbox.com/request/epa70ep6ij50VND4hAyC

Thanks,

Fengchao

On Wed, Aug 4, 2021 at 10:14 AM xbisteau @.***> wrote:

How can I send you the file?

From: Fengchao @.> Sent: Wednesday, 4 August 2021 16:12 To: Nesvilab/FragPipe @.> Cc: xbisteau @.>; Comment @.> Subject: Re: [Nesvilab/FragPipe] DIA-Umpire errors: Spectral file reading (#415)

If you can send us your files, we can take a look. But I don't think we changed anything regarding paring the numbers: we always use Java's Float.parserFloat() function.

Best,

Fengchao

On Wed, Aug 4, 2021 at 10:09 AM xbisteau @. <mailto:@.>

wrote:

Hi Fengchao,

Thanks for your comments.

As I mentioned already before this has been done. I have changed the decimal before converting the files And I still get the same issues over and over with Fragpipe V16

This is not happening with V15 with the exact same parameters and the same file.

Regards,

Xavier

From: Fengchao @. <mailto:@.> > Sent: Wednesday, 4 August 2021 15:55 To: Nesvilab/FragPipe @. <mailto:@.> > Cc: xbisteau @. <mailto:@.> >; Comment @. <mailto:@.> > Subject: Re: [Nesvilab/FragPipe] DIA-Umpire errors: Spectral file reading (#415)

java.lang.NumberFormatException: For input string: "212,500000" indicates that the decimal separator is ,. You need to change your configuration.

Best,

Fengchao

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MiguelCos commented 3 years ago

Hello,

Just to comment. Our problem was solved after changing the regional settings from German to US.

Our user had properly changed the decimal number definition but not the regional settings in Windows. This lead to the error I posted.

The error was gone after changing the regional settings.

Hope this helps.

Best, Miguel

xbisteau commented 3 years ago

Hi,

thanks for the comment. It indeed solved the issue by changing the regional settings to US. the decimal change was neither enough for me. But I still have a warning that was not present in V15. WARNING: An illegal reflective access operation has occurred WARNING: Illegal reflective access by org.nustaq.serialization.FSTClazzInfo (file:/C:/Softwares/FragPipe_V16.0/tools/DIA_Umpire_SE-2.2.1.jar) to field java.lang.String.value WARNING: Please consider reporting this to the maintainers of org.nustaq.serialization.FSTClazzInfo WARNING: Use --illegal-access=warn to enable warnings of further illegal reflective access operations

But it runs smoothly after without error. The file has been loaded Best,

Xavier

guoci commented 3 years ago

That is fine, just ignore the warning.

fcyu commented 3 years ago

Hi Xavier,

I cannot find the file from the Dropbox folder. Could you please double check?

Best,

Fengchao

On Wed, Aug 4, 2021 at 11:12 AM xbisteau @.***> wrote:

Hi,

thanks for the comment. It indeed solved the issue by changing the regional settings to US. the decimal change was neither enough for me. But I still have a warning that was not present in V15. WARNING: An illegal reflective access operation has occurred WARNING: Illegal reflective access by org.nustaq.serialization.FSTClazzInfo (file:/C:/Softwares/FragPipe_V16.0/tools/DIA_Umpire_SE-2.2.1.jar) to field java.lang.String.value WARNING: Please consider reporting this to the maintainers of org.nustaq.serialization.FSTClazzInfo WARNING: Use --illegal-access=warn to enable warnings of further illegal reflective access operations

But it runs smoothly after without error. The file has been loaded Best,

Xavier

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fcyu commented 3 years ago

Hi Xavier,

The mzML file you uploaded is using . as the decimal separator. I guess you uploaded the one without any issue. We would like to take a look at the one using , as the decimal separator if you can upload it,

Thanks,

Fengchao

xbisteau commented 3 years ago

Hi Fengchao,

I have uploaded the original one. Actually even with that one, I have no issue since I changed the regional settings. Best,

Xavier

fcyu commented 3 years ago

Hi Xavier,

I opened the file with a text editor, but the decimal separator is . and DIA-Umpire runs fine on my computer.

Best,

Fengchao

On Wed, Aug 4, 2021 at 12:52 PM xbisteau @.***> wrote:

Hi Fengchao,

I have uploaded the original one. Actually even with that one, I have no issue since I changed the regional settings. Best,

Xavier

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