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https://github.com/raman-noodles/raman-spectra-decomp-analysis/blob/ca322ff1c1207a45d667eb6071d3a5735d4346f8/ramandecompy/interpolatespectra.py#L199
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Will it be possible to load spectra and corresponding annotations for supervised learning?
Best regards
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DDA MS/MS defines the precursor that was used to trigger the MS/MS event, and defines the precursor mass as the trigger mass. However, every MS/MS event has a mass isolation window - i.e. a lower mz …
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_Issue [JP-3630](https://jira.stsci.edu/browse/JP-3630) was created on JIRA by [Melanie Clarke](https://jira.stsci.edu/secure/ViewProfile.jspa?name=mclarke):_
Calibration status keywords are genera…
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I'm trying to use the search gui and peptide shaker for peptide mass fingerprinting. Both seem pretty intuitive and complete, but I can't make progress on some algorithms in the search gui, but mostly…
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1. Hold the `widths` constant
* Typically TJLF takes a width guess as input, and then runs the `max2` function to find the best `width`
* TJLF also has a flag to force use of the `width`…
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Now we have a forward model $f(\vec{\theta})$ (an NN emulator) which could return the SED of given physical parameters. Then we need to build a neural density estimator to describe the $P(\vec{\theta}…
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https://github.com/cheminfo/cheminfo-types/blob/main/src/spectra/Data2D.ts#L11C1-L23
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### Data Owner Name
Sloan Digital Sky Survey
### Data Owner Country/Region
United States
### Data Owner Industry
Environment
### Website
https://www.sdss.org
### Social Media Handle
https://x…
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Hi,
I thought one other important aspect would be to compare two isotope pattern (e.g. one measured and one simulated) against each other. We could use the `matchedSpectra` here, assuming that the …