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mzML tasks:
- [ ] Single spectrum
- [x] Chromatogram (given m/z range)
- [ ] Multi-spectrum RT range
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### Basic information
* My operating system and version: Windows 11
* My mzmine version: 4.3
### What happened
* Please describe what happened and how it differs from what you expected to h…
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**Bug description**
I get the following error message every time when trying to upload .mzml files into SIRIUS (v. 6.0.6):
Error when importing data! Cause: java.lang.Exception: com.fasterxml.jack…
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We don't have an export format for saving as mzml.
There is a package that does this: https://github.com/mobiusklein/psims
I tried implementing this in #707
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### Description of the bug
The errors are reported when i ran PXD001819 LFQ datasets (about 10G mzML files). It looks like it's running out of memory? But the available memory is 120G. So I'm not …
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### **Basic information**
* My operating system and version: Windows10
* My mzmine version: 4.3.0
### **What happened**
* I converted the .raw files (Waters, IM-MSe) into .mzML files, using …
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I have a set of MS2 spectra I'm trying to import into Sirius, using .mzml format. These files were converted from SCIEX's .wiff2, from a QTOF (X500B) using MSConvert. The MS1 spectra from this instrum…
sb855 updated
3 weeks ago
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I think we should:
1. Check for equal filenames (case insensitive extension)
2. Check filename of file_origin in mzML (case insensitive extension)
Only then fail.
We should also check file_ori…
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mzMLb tasks:
- [x] Conversion code (implemented in msconvert already)
- [ ] Single spectrum
- [x] Chromatogram (given m/z range)
- [ ] Multi-spectrum RT range
Exactly the same as mzML e…
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This was asked at the HUPO2024. I think it should be quite easy to convert the files into mzml and calculate most of the values.