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Algorithms - Spectral Library Search, Least Squares

Algorithms

Spectral Library Search, Least Squares Algorithm

Full Spectrum Matching Method

The Least Squares HQI of the unknown from the library entry is calculated as the sum of the squares of the vector difference:

Where Lib is the library entry being searched, Unkn is the unknown spectrum, and n is the number of data points in the library entry and reduced unknown spectrum. Since each library or unknown data point is 0 to 1.0, the best match is 0 and the worst is 1.000. Spectral regions are excluded from the calculation by setting the corresponding values in the Lib and Unkn to zero.

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