Apparatus and system for multivariate spectral analysis

A spectrum analyzer for determining the properties of a sample from measured spectral data collected from the sample;

• comprising:
• input/output means for inputting the measured spectral data;
• memory means for storing the measured spectral data;
• means for loading data into memory via the input/output means;
• and
• computer processor means for reading the memory and executing software instructions to perform a method of determining the properties of a sample from measured spectral data collected from the sample;
• comprising:
• a) providing a two-dimensional matrix A containing measured spectral data;
• b) generating a weighted spectral data matrix D by weighting matrix A;
• c) factoring D into the product of two matrices, C and ST, by performing a constrained alternating least-squares analysis of D=CST, where C is a concentration intensity matrix and S is a spectral shapes matrix;
• d) unweighting C and S by applying the inverse of the weighting used in step b);
• and
• e) determining the properties of the sample by inspecting C and S.