Add Oxygen CIA Functionality

usnistgov / MATS

Multi-spectrum Analysis Tool for Spectroscopy

https://pages.nist.gov/MATS/

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Add Oxygen CIA Functionality #12

Closed eadkins333 closed 3 years ago

eadkins333 commented 3 years ago

Neeed to add a third input fill that relates to continuum behavior with a row for each broadener - probe molecule in the dataset : row for wach braodened and molecule combo (that is actually in the dataset) : has the type of continuum in the function.
Add generate continum parameter list (takes the type of continuum or some continuum object? as input)
Make fitparamas.generate_continuum function that would take the continuum and float values appropriately
Fit Data call has yes no for continuum inclusion.

eadkins333 commented 3 years ago

The Karman CIA takes a lot of time to fit/model. So the thought would be to add a .csv file that reads in this background file with the option to fit parameters in the general fitting or to simply read in the file (the second option is similar to the labview approach).

eadkins333 commented 3 years ago

This would also work with any other bandwide parameters that want to be able to be either spectra or shared dependence. ie would be a zigzag baseline or floating the concentration for a non-parameterized spectra.

eadkins333 commented 3 years ago

Joe had the idea to integrate the Karman CIA as a look-up table. Which would let you read in and find the best fit.

eadkins333 commented 3 years ago

Completed in the CIA branch

-- closed4/13/2020