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sneumann
This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
I am trying to install xcms locally with `BiocManager::install("xcms")`. The installation process stops with the following output: ``` ... checking if zlib is wanted... yes checking for inflateEnd in -lz......
The chromatogram() only can separately run MS level 1 and 2. How to combine MS level 1 and 2 after chromatogram() for peak detection and alignment? chromatogram(object, rt, mz, aggregationFun...
Howdy, I want to run xcms on 255 samples. When I follow the pipeline “LCMS data preprocessing and analysis with xcms”, I have questions about how to save and read...
Add an option `expandRt = "adaptive"` to use an retention time window equal to the average retention time width of chromatographic peaks for a feature.
Hi @sneumann, @jorainer, One of the observation, I have, is that at least within our Galaxy wrappers, there are too many line of R codes. And we discussed about that...
For issue #375 we need a function to reconstruct the MS2 spectrum from the list of `Chromatogram` objects. Can you add that @michaelwitting ?
Hi! I would appreciate your help with this error, thanks: Error: BiocParallel errors element index: 1, 2, 3, 4, 5, 6, ... first error: Spectra are not ordered by retention...
Hi, it would be great to create a vignette collecting different ways of visualisation, so that xcms can create "paper ready" figures. Suggestions and code snippets welcome. See also the...
Hi there, I am new in posting issues so please be kind if I do not provide enough information here. We encountered a problem while using the 'chromatogram' function with...
