My email address is:
sfmcpa (at) gmail.com
If necessary we may also provide you with my public key to secure the communication.
You can send me spectra of solutions that you want to be estimated. You have to provide me with appropriate multi-component calibration data which is every spectrum that you know any component concentration of the solution. We are able to include into calibration almost every data, even though you might have been thinking it was useless due to exceeded concentration limit.
Every spectrum should be written in single column and saved in text file.
Spectra of known solutions, that is solutions you know components concentrations, should be written in a file A.txt. Corresponding concentrations should be written in appropriate columns in file C.txt. You may not know every concentration, use NA symbol in such case.
Data for estimation:
Spectra of unknown solutions, that is solutions you don’t know components concentrations and you want to estimate them, should be written in a file a.txt.
As soon as I will be able to upload files to the page we will link to example files.