Hello
I have a processing method where there is some calibration amount entered for a compound. When I am processing a sequence where there are no standards, only QC checks, I cannot get the Compound_CalibAmount values from the processing method and use it in reporting. Is there a way?
Thank you
Martin
Hello,
The following custom calculations would work as long as you run the standards with the sample in the same sequence. They are 2 typical calculations for check standards. The level number can be changed to the level your QC check corresponds to in the original standard. If you do not run you standards with the sample or the QC check is a unique concentration level the I would use a constants file as Peter suggests.
Marty Adams
Compound_Amount / CurrentSequence.AllIdentifiedPeaks.Where(function(x) x.Compound_Name = CurrentPeakOrGroup.Compound_Name).Where(function (x) x.injection.Sample.Sample_CalibrationLevel = 2).Select(function(x) x.Compound_CalibrationAmount).Average * 100
Abs(Compound_Amount - CurrentSequence.AllIdentifiedPeaks.Where(function(x) x.Compound_Name = CurrentPeakOrGroup.Compound_Name).Where(function (x) x.injection.Sample.Sample_CalibrationLevel = 2).Select(function(x) x.Compound_CalibrationAmount).Average) / CurrentSequence.AllIdentifiedPeaks.Where(function(x) x.Compound_Name = CurrentPeakOrGroup.Compound_Name).Where(function (x) x.injection.Sample.Sample_CalibrationLevel = 2).Select(function(x) x.Compound_CalibrationAmount).Average * 100
I am assuming at some point calibration sample were run? Calib_amount will always be blank if the sample type is NOT calibration. The way to calculate the QC amount back to the originals calibration results is shown below.
You can save the calibration result into the Master Method and then calculate the QC and unknowns against that previously saved calibration curve when you load and link that Master method to the results set. Then in a report have a conditional format to flag QCs that fall outside of acceptable parameters.
So methodology is as follows:
1. Process calibration data with appropriate linked method to create calibration curve
2. Save method AND update Master Method (This saves the calibration curve to the Master Method)
3. Close this data
4. Open another sequence with the QCs and sample in it, no calibrators
5. Load and link the same method as just saved to Master
6. You can read the "Amount" from the QC check
See screenshot.
Hope that helps
Hello,
Typically for methods using a QC check standard at unique concentrations from a current calibration level, I would assign a static value in a constants file for the compounds. I would then design the SOP to produce the QC standard at that level with tolerances inside the error windows of the method as a whole. If that is not possible and you are changing the QC standard values each time you remake the standard or more frequently then I would use compound custom fields. Custom fields are created at the project level. Compound custom fields can be entered during sequence generation or in data analysis. They can be used in CC or IR to do calculations where you need individual custom values for each compound.
Marty Adams
