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Dear Fragpipe team,
I am searching TimsToF IM enabled DDA files on the latest version of Fragpipe using the standard LFQ-MBR workflow. Everything works fine but when I looked at the log, Fragpipe s…
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Hello!
I used a prosit spectral library file to produce an mzML file using Synthedia (synthedia --prosit 'prosit_lib.csv' --centroid_ms1 --centroid_ms2). This works ok, but when I try to analyze t…
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Hi,
as we all want to include MSP and MGF export, I think we need to declare more clearly what we want to do and how.
As a note, there is some support for MGF export in MSnbase, which RMassBank depe…
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```
3:58:35 PM:
3:58:35 PM: [1307:0x5b527b0] 32119 ms: Mark-sweep (reduce) 2048.1 (2056.8) -> 2047.7 (2056.8) MB, 3.5 / 0.0 ms (+ 15.7 ms in 6 steps since start of marking, biggest step 15.4 ms…
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I've experienced some weird issues caused by threading while trying to use FINUFFT function inside OpenMP parallel region.
The application consists of 3 function 'layers' from the parallel region. …
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Hi, I have a couple of question about the quality assessment of PSM that passed all FDR threshholds (1%, except protein at 100% - we are doing immunopeptidomics) but that we still want to inspect more…
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Currently a matrix with tanimoto scores is generated. However, only the top 10 highest scoring Tanimoto scores are needed for MS2Query.
Suggested change:
Do not store the entire matrix with tanim…
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I just noticed that all my casanovo output contains sequences that have 2 or more modifications specified for Cystine.
For example I have a sequence that reads:
"C+57.021-17.027+42.011C+57.021EEC…
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Dear all,
I'm working with low resolution spectra. I'm having problems when performing fillChromPeaks.
Please check it:
```
register(SerialParam())
xcms.data
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### Basic information
My operating system: Intel(R) Core(TM) i7-8750H CPU @ 2.20GHz 2.21 GHz, 16.0 GB (15.8 GB usable)
My MZmine version: MZmine3.0.21-beta
### What happened
Hi dear develope…