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Writing out a draft of my response to Abhik https://eoranalysis.slack.com/archives/CELPT55K7/p1555359988025600
Hi Abhik, thank you for this, I think this is the key information. Let me follow wit…
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Is there any dataset that can be used for new users to learn and test the workflow?
The following files will be necessary:
Spectrum Files (Required): mzML, mzXML, mgf?
Sequence Files (Required): f…
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Hello,
Thanks for making this tool! I am finding it useful and am planning to use it in a large-scale reanalysis of published data to avoid difficulties with missing/incomplete information on acqui…
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In general _counts_ don't equal _photons_. Hence, I'm confused with the given units in the documentation.
In the [description](https://atomdb.readthedocs.io/en/master/spectrum.html#pyatomdb.spectr…
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I added a notebook in a new branch "comapre_full_extraction" to compare the output from `spex` and `desi_extract_spectra`. It's just a start but I've already identified two issues that seem like quick…
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Hi @dhhagan,
I'd like to contribute an enhancement which will enable bin assignment via a probability distribution. I saw you mentioned this in Hagan et al. 2020 and cited Walser et al. 2017 as a p…
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For calibration targets used in terraref/computing-pipeline#281 we have
* the calibration certificate for the 75% panel
* response data extracted to table is in [this spreadsheet](https://docs.…
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I am trying to process large datasets using a batching method where I run pooled samples to create a retention time and compound library, and then I use that library for the subsequent files from my l…
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