Peak Fit Automation - Looking for suggestions
Wed, 08/10/2022 - 10:36 am
I have a large number of Raman spectra (350+ samples with 10 spectra/sample). The fits is to 3 known peaks with figures of merit being positions and some ratios of peak areas.
Looking a way to best automate this process. My idea was to use the general multipack fitting based on a temp wave and then just iterate new data to the temp wave and execute curve fit and scrap the resulting data to a summary wave with sample_id as row label. The standard fitting panel is built around human exploration of the parameters which is great. Is it possible to execute the "Do Fit" button press programmatically? If so I have a clear path to run through the samples.
If not is there a preferred way of doing this? The batch fit still forces me to load all the waves.