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Hi,
I am currently starting to work on a LECO ChromaTOF csv peak table import method and would like
to soon work on netCDF-based support for 2D GCxGC-MS data from ChromaTOF exports.
I do have some que…
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On my machine, it takes arround 2 minutes to read `GCxGC-qMS.txt` file in `read_txt_Shimadzu()` unit test:
```r
system.time({
filename 124.50 17.56 143.90
```
143.90/60 ≈ 2.398 …
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Just putting as a reminder here since a lot of re-modelling seems to be going on.
While you consider how to re-organize XCMS please consider making it possible to use LCxLC and GCxGC data. AFAIK we…
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Dear MZmine developers,
Thanks a lot for developing such amazing software. I am wondering if it supports or plans to support Agilent's GC x GC-qTOF/MS data? Manual processing of 2-dimensional GC da…
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From the javadoc this is used in "GCxGC or LCxLC applications", so we should not place this in the generic IScan interface.
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In reference to https://github.com/openjournals/joss-reviews/issues/4565.
I will post issues and questions about the paper here and hope that we can engage in a discussion about them.
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IMassSpectrumNormalizable is declared by scans and used all over the code in a problematic way:
- IMassSpectrumNormalizable declares methods to normalize a spectrum and returns a scan, but the retu…
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- [ ] add unit test for (old) GCxGC-MS example spectrum
- [ ] get `read.txt.Shimadzu` working with the new UV-VIS-NIR example spectrum
- [ ] documentation: fileio vignette
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What is the difference between `GC,GC-MS` and `GCxGC-MS` spectroscopies? Or is it the same just abbreviation has a typo?
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Note: `fileio--fileformats.txt`
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I noticed in the example data https://github.com/HUPO-PSI/mzTab/blob/master/examples/2_0-Metabolomics_Release/gcxgc-ms-example.mztab that lines have trailing tab characters.
There are also lines th…