custom calculation

Hi!

Will it be a general CC, or the same factors will be used all the time. If you want to set up them in every sampleset, you shuld create a compound custom field first, and the CC reads the values from it. If it's fixed, then use this simple way:

Compound_Concentration*iif(compound_name="peak 1",5,10)/Sample_Amount

Peter

Hi!

Will it be a general CC, or the same factors will be used all the time. If you want to set up them in every sampleset, you shuld create a compound custom field first, and the CC reads the values from it. If it's fixed, then use this simple way:

Compound_Concentration*iif(compound_name="peak 1",5,10)/Sample_Amount

Peter

It seems to me that this formula only works for 2 peaks.
I have chosen my example wrong because I would like for a number greater than 2, for example :
If pic1 then compound amount *5/ sample amount,
if peak 2 then compound amount *5
if peak 3 then compound amount * 10
thank you

syb

Ok, so you have two options:

Create a CompoundCustomParameter (from CP / Project / CDS settings/Compound Custom Parameter) for the Factors (default value is should be 1), then fill the values in the sequence in every Sample lines

Modify the CC to this:

Compound_Concentration* CurrentPeakOrGroup.GetCustomField("Factor")/Sample_Amount

The second option is create a constant file, upload it to the project, read the factors from the file with a CC. ( I've never tried this before :) )

File sould be something like this:

Compound  Factor

Peak1            5

Peak2            5

...                    ...

Compound_Concentration* GetConstant("Factor")/Sample_Amount

The way to determine the method to use is how often you will need to change the factors. If the factors will be changed frequently, then I would use compound custom parameters in the project. If the factors never change or change infrequently, then use the constants file in the CC.

Marty Adams

Thank you for your quick response;
I have never used a constant file before, I will think about it...;
Thank you
SYB

Very good response, Dear