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The default JavaScript offerings in Phoenix are pretty slim. We have a few third party plugins, some utility functions, and not much else. It would be nice to get our baseline JavaScript offerings up …
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I'm not a mass spec person, but I've recently had to analyza a compound with formula that has multiple copper and sulphur atoms, and brainpy gives me pretty large deviations from the experimental spec…
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We currently do not have a way to specify spectra from "higher isotopologue" precursors. For example, for a brominated compound we could be fragmenting the 81Br-isotopologue, i.e. 2 "isotopes" above […
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A feature that I have not seen commonplace in any MS software is the support for modifications that might fragment due to the presence of peptide bonds.
For example,
![image](https://github.com/l…
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This thread will be used to **update the oxygen and hydrogen isotope ratios in the PMIP part of Emon**, aka _Roche variables_ because they were requested by Didier Roche (@dmr-dj) and the content of t…
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Just to start the discussion....
Taking a look at the Gaussian NMR page, I see there are options for different gauge origins and methods. Do we parse all of them, similar to how we handle atomic char…
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All the files ran through processing . Individual csv files created and individual MSMS mgf files created . Program is halted at this step and not running any further.
No pdf file created nor any dat…
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~**Tree photosynthesis modulates soil respiration on a
diurnal time scale**
Tang et al. 2005
https://onlinelibrary.wiley.com/doi/pdf/10.1111/j.1365-2486.2005.00978.x~
**Transpiration alters the…
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Add functions to
- parse molecular formula to `list` and back
- create formula of an adduct based on neutral formula and adduct definition
- check if one formula is contained in another
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Here is a table for an example simulation with three 30-day depletion steps and a 10 day outage. Providing this as an initial strawman... see discussion below for why it is this way currently:
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