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sneumann
This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
Hi Johannes, Have been going through several options to perform peak detection with a defined list of ROI. I accidentally used `ManualChromPeak` and at the end found out that there...
Added polarity splits for MPI function as well - before was only in non parallel version Added export of mzo & mzoscan from centWave
Hi Johannes, Is there a way I can plot the log2-transformed intensities instead of absolute intensities? The intensities of some peaks are too dramatic and they masked my important small...
Hi, we are currently getting on http://bioconductor.org/checkResults/devel/bioc-LATEST/xcms/merida1-buildsrc.html ``` --- re-building ‘xcms-lcms-ms.Rmd’ using rmarkdown Sizes of mz and intensity arrays don't match. Quitting from lines 103-106 (xcms-lcms-ms.Rmd) Error: processing vignette 'xcms-lcms-ms.Rmd'...
I am running a for loop to extract data from .nc files for a series of points using the mcera5 package. However, after several iterations, I am getting the following...
Hi, me again Question related to #592... I kept working on it and I got some unexpected results using compareChromatograms() After some investigation (see below) I was able to determine...
Hi, For some context, I am trying to compare peak shapes coming from different detectors in order to group them. I started with https://bioconductor.org/packages/3.15/bioc/vignettes/xcms/inst/doc/xcms-lcms-ms.html#32_Reconstruction_of_MS2_spectra, which offers the nice `correlate` function....
Recently, I try to run xcms (Rcalled by MZmine) in the slurm cluster. The technician said only one CPU core was used by R (xcms). How can I set up...
Our IT department requires a security review before software installation. Is there a specific contact for XCMS that I can use for the security review (name and email address)? Thanks...
Hi, It would be nice to have build-in support to filter orbitrap artifacts at some point. I have written a filter but ATM it needs to be used to convert...
