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Eric LALOUM
Posted on Tuesday, May 21, 2002 - 10:27 am:   

Hi,

In a specialized chemometric software BUCHI NIRCal, a specific indice is used to give the overall quality of a NIR calibration either quantitative or qualitative, called the "Q-value". For quantitative models, it is said to be calculated from : SEE, SEV, number of samples, number of terms... For qualitative models, it is calculated from the size and shape of clusters...It ranks from 0 to 1 and is used to compare several calibrations in an optimization algorithm. Does anyone have any experience with such indice ? Is it statistically funded ? What is the formula used ? Any articles regarding quality statistics for calibration ?
Are there other quantitative quality indice to judge for the overall quality of a calibration (robustness and precision).

Thanks,
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maria verdelli
Posted on Monday, October 28, 2002 - 12:01 pm:   

We don"t have any experience about calibration model in Near analysis .Is really necessary in quantitative and qualitative analysis? Thanks.
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bytecomm
Posted on Monday, October 28, 2002 - 5:58 pm:   

hello Maria
Calibrations are derived from NIR absorbances in relation to the property values of a calibration set of data. This is cast in a background of molecular party chatter. All lighter molecules give up their ghost to NIR. You need calibrations to hear your ghost of interest.
Happy Halloween
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Luca Vicenzutto (Vice)
Posted on Friday, January 23, 2004 - 2:06 am:   

HI!
I currently use NIR from BUCHI and I also ask the same question to our "BUCHI man".
He replies that Q value formula is covered by Industral Secret but is the result of a pondered average between SEP, SEE, Number of spectra, range covered. etc etc.
In my opinion, I think that an High Q Value rappresents a good calibration.
Regards
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JEROLD CHICO (Jerold)
Posted on Saturday, January 24, 2004 - 12:50 am:   

Hi Vice!
We are currently evaluating performance of BUCHI NIRLab N-200 and would also like to compare calibration generated against that of FOSS NIRS 6500. How is "Q-value" related to RSQ? Hope you could share more of your experiences with Buchi NIRS that will be helpful in our evaluation.
Thanks and regards.
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Luca Vicenzutto (Vice)
Posted on Monday, January 26, 2004 - 3:27 am:   

Hi Jerold
Some points:
1- We use BUCHI NIRFlex N-400, that is different than NIRlab.
2- What RSQ mean?
Regards
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Roland Winzen
Posted on Friday, January 30, 2004 - 6:43 am:   

Hello all,

if you're curious about the formula for Büchi's Q-Values you might be interested in the file CQValue.cls in the ..\Nircal 4\macros\ folder of your installation. (pure text files, basic-like code)

In my experience the quantitative QValue is rather usable, as long as both calibration and validation set are _really_ representative for your data.. (yeah.. they always should be, I know...:-)

Regards
Roland Winzen
http://www.nir-support.de
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Luca Vicenzutto (Vice)
Posted on Tuesday, February 03, 2004 - 9:30 am:   

Roland,
thank you! I've found the document very interesting!

Rgds
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Luca Vicenzutto (Vice)
Posted on Thursday, October 07, 2004 - 2:18 am:   

Strange thing!
I've update the software, but this file is disappeared!
Could someone help me?
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Tony Davies (Td)
Posted on Thursday, October 07, 2004 - 4:34 am:   

Vice,

Please tell us what file you have lost!

Best wishes,

Tony
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Luca Vicenzutto (Vice)
Posted on Thursday, October 07, 2004 - 4:48 am:   

Tony,
I'm refering to CQvalue.cls that Roland indicated in his last reply!
using Nircal latest version, this file is disappeared!
Regards

Luca

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