Wrong mailing list? On 21 January 2017 at 02:52, Sebastian Illner < sebastian.illner@imtek.uni-freiburg.de> wrote:

Hi guys, I'm new to NIR-measurement as wenn as chemometrics. My current project involvs the recognition of determined spectra (of a reference system) among others. The materials are currentlys not really set. So I try to give a predetermined mixture of substances into another matrix and group the measured NIR-spectra according to a) contains predetermined mixture and b) does not contain mixture (but other mixtures could be possible). This way the mixture could be used as a unique marker. What would be the best chemometric way to accomplish this task?

Currently I am trying to use PLS-DA, SMC and PCA (combined with a distance quantifier). Thanks for your thought about this. seb

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