rickhelmus / patRoon

Workflow solutions for mass-spectrometry based non-target analysis.
https://rickhelmus.github.io/patRoon/
GNU General Public License v3.0
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FindFeatures issue with example data #50

Closed kbrigit closed 1 year ago

kbrigit commented 2 years ago

Hi,

I am just trying to follow the patRoon tutorial and keep getting the following error (below) when I run "findFeatures" with the patRoon example data. Have I loaded something in wrong? What might be causing this error? I am pretty new to patRoon and R, so any help is greatly appreciated! Thanks.

fList <- findFeatures(anaInfo, "openms", noiseThrInt = 1000, chromSNR = 3, chromFWHM = 5, minFWHM = 1, maxFWHM = 30) Verifying if your data is centroided... Finding features with OpenMS for 6 analyses ... | | 0%Error in maybeRestartCommand(commandQueue[cmdInds], runningProcInfo[[pi]], : Failed to run command 'C:/Program Files/OpenMS/bin/FeatureFinderMetabo.exe' with args: '-algorithm:common:noise_threshold_int 1000 -algorithm:common:chrom_peak_snr 3 -algorithm:common:chrom_fwhm 5 -algorithm:mtd:mass_error_ppm 10 -algorithm:mtd:reestimate_mt_sd true -algorithm:mtd:trace_termination_criterion sample_rate -algorithm:mtd:trace_termination_outliers 5 -algorithm:mtd:min_sample_rate 0.5 -algorithm:mtd:min_trace_length 3 -algorithm:mtd:max_trace_length -1 -algorithm:epd:width_filtering fixed -algorithm:epd:min_fwhm 1 -algorithm:epd:max_fwhm 30 -algorithm:ffm:local_rt_range 10 -algorithm:ffm:local_mz_range 6.5 -algorithm:ffm:isotope_filtering_model metabolites (5% RMS) -algorithm:ffm:mz_scoring_13C false -algorithm:ffm:use_smoothed_intensities true -algorithm:ffm:report_convex_hulls true -algorithm:epd:masstrace_snr_filtering false -in C:\Users\AppData\Local\R\win-library\4.2\patRoonData\extdata\pos/solvent-pos-1.mzML -out C:\Users\AppData\Local\Te

rickhelmus commented 2 years ago

Hi @kbrigit ,

It seems OpenMS has troubles running on your system. Hopefully you can find more details in one the log files inside the log/openms directory inside your project directory. Could you check the text files for any further error messages?

Thanks, Rick

rickhelmus commented 1 year ago

Closing this old issue because of inactivity.