Comments (3)
Hi Ethan,
I'd be definitely interested in expanding the package functionality to DAD data! I haven't worked with that type of MS at all so if you're able to send some and/or get started on a grab
function that'd be welcome. Glad you like the package!
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I took a first crack at it here: https://github.com/ethanbass/RaMs.
And here is a link to the example files: https://cornell.box.com/v/thermo-mzml1
They were converted from Thermo RAW using the ThermoRawFileParser, as I mentioned before.
I think the solution i came up with is pretty specific to the way DAD data is encoded by Thermo, but I don't have any other example files, so I don't know if (or how) other manufacturers might differ.
I also changed an error to a warning in checkOutputQuality, because I didn't see why the whole function needs to error out if it can't find a certain data type -- like the DAD data for example. It seems like a warning is sufficient here, but feel free to revert if there's something I'm not seeing.
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Closed with #14
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Related Issues (9)
- Release RaMS 1.0.0
- Constructing tmzMLs on the fly HOT 1
- Can't read mzML files written by OpenChrom because of missing namespace declaration HOT 4
- Notes on `arrow` HOT 1
- Feature request: grab "ion injection time" HOT 7
- .wiff2 files appear to contain no data when opened with RaMS HOT 2
- request: parsing chromatograms from mzML acquired in MRM HOT 9
- tmzML document MS2 voltage encoding is incorrect HOT 4
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