Algorithm INDICES in S-Plus

Algorithms published in M. Meloun, J. Čapek P. Mikšík, R. G. Brereton: Critical comparison of methods predicting the number of components in spectroscopic data, Anal. Chim. Acta, 423 (2000) 51 - 68, (PDF)

Data for the INDICES algorithm

File Optional activity with the file
x.xls Drag and copy into S-plus matrix
x.txt Import into S-Plus
x Copy this file into S-Plus data directory

These data are for medicament silybin. It was measured at 25 0C at ionic strange 0.01.

The actual concentration was 3*10-5 mol/l, pH range 6-12, vawelenght range 243 - 357 nm.

Output from the INDICES algorithm:

Optional procedure in the INDICES Output file
The logarithm of the proposed method Metod - Silybin.wmf
The second derivative SD of each method SD - Silybin.wmf
The third derivative TD of each method TD - Silybin.wmf
The ratio of derivatives ROD of each method ROD - Silybin.wmf

The INDICES algorithm

Methods File Launch function
The logarithm of the proposed method

Log-Method.zip

 All-graphs-l.z.ssc
The second derivative SD of each method

Second derivation.zip

 All-graphs-l.z.sd.ssc
The third derivative TD of each method

Third derivation.zip

 All-graphs-l.z.td.ssc
The ratio of derivatives ROD of each method

Ratio of derivation.zip

 All-graphs-l.z.rod.ssc

Data specimen and an actual output for SQUAD(84) program for the medicament Silybin

Intput Output
Sily-in.TXT Sily-out.TXT

Nahoru

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