QcIR^TM

• Calculates comparison statistics for any two spectra

1. Linear Correlation Coefficient
2. Spearmann’s Rank Correlation
3. Kendal’s Tau

• Data must be supplied as space delimited ASCII in ascending order from 400 to 4000 wavenumbers; first column is wavenumber and second column is intensity.
• The program can handle at most a spectrum from 400 to 4000 wavenumbers at a resolution of 1.5 wavenumbers (about 2500 data points)
• Both spectra must be in absorbance or transmittance -- no translation is provided
• Data is interpolated so the statistics are calculated at the same wavenumbers
• The data is in ASCII format so regions can be edited using any convenient text editor
• Also calculates the Cross Correlation between two spectra

• Cross Correlation can provide information about

1. Peak shifts which may be due to instrument variance
2. Peak shifts due to different side groups
3. Harmonic peaks
• This data can be used for

1. QC/QA
2. Input to LIMS system
3. Research
(Requires Windows 3.1, 95 or NT).

Return to the Quality Control section
 
 

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