System and method for spectroscopic determination of a chemometric model from sample scans

A computer-implemented method on an analytical instrument support apparatus, the method comprising:

• obtaining, by one or more processors, a chemometric model for one or more levels of parameters associated with composition training data, wherein the composition training data includes data representative of one or more components of a vesicle;
• receiving, by one or more processors, Raman spectra data representative of at least one Raman spectrum associated with one or more components of a sample of a vesicle;
• transferring into the chemometric model, by one or more processors, the Raman spectra data representative of the at least one Raman spectrum associated with the one or more components of the sample of the vesicle;
• and
• determining, by one or more processors, a level of one or more parameters of the one or more components of the sample of the vesicle based on the chemometric model.

An analytical instrument support system comprising:

• a light source configured to direct light onto a surface of a sample;
• a spectrograph configured to acquire a Raman spectrum from the surface of the sample in response to the light source directing light onto the surface of the sample;
• one or more processors;
• one or more non-transitory computer-readable storage media;
• and
• program instructions stored on at least one of the one or more non-transitory computer-readable storage media for execution by at least one of the one or more processors, wherein execution of the program instructions by at least one of the one or more processors cause the analytical instrument support system to:
• obtain a chemometric model for one or more levels of parameters associated with composition training data, wherein the composition training data includes data representative of one or more components of a vesicle,
• receive Raman spectra data representative of at least one Raman spectrum associated with one or more components of the sample,
• transfer into the chemometric model the Raman spectra data representative of the at least one Raman spectrum associated with the one or more components of the sample of the vesicle, and
• determine a level of one or more parameters of the one or more components of the sample based on the chemometric model.