creating Custom calculation

Question

I'm looking for some guidance. I'm brand new to OpenLab CDS 2.5 and have been trying to learn how to create a custom calculation to tie to an established process method. I need my reports to reflect, in percentage, the total concentration of compounds in our product samples.

The calculations are:

Total CBD = (0.877*CBDA) + CBD

Total THC = [(0.877*THCA) + (D9THC + D8THC)]

Total cannabinoids = (sum amount of all the canna compounds combined.

Any help would be greatly appreciated!

martin.adams · Accepted Answer

Hello, Here are some example CCs to get you started with your method. These all have the scope of injection so you get one value per injection for each CC. You might need to change the compound names depending on how they are named in your method. Also the last one Total Cannabinoids sums all identified peaks in the injection. If this is not what you need the CC could be altered but you could also just use a named group in DA. The named group would be easier to use to select specific peaks out of your identification table. Total CBD (0.877 * CurrentInjection.AllIdentifiedPeaks.Where(function (x) x.Compound_Name.ToUpper() = "CBDA").Where(function (x) x.Compound_Concentration > 0 ).Select(function(x) x.Compound_Concentration).Max) + CurrentInjection.AllIdentifiedPeaks.Where(function (x) x.Compound_Name.ToUpper() = "CBD").Where(function (x) x.Compound_Concentration > 0 ).Select(function(x) x.Compound_Concentration).Max Total THC (0.877 * CurrentInjection.AllIdentifiedPeaks.Where(function (x) x.Compound_Name.ToUpper() = "THCA").Where(function (x) x.Compound_Concentration > 0 ).Select(function(x) x.Compound_Concentration).Sum) + (CurrentInjection.AllIdentifiedPeaks.Where(function (x) x.Compound_Name.ToUpper() = "D9THC").Where(function (x) x.Compound_Concentration > 0 ).Select(function(x) x.Compound_Concentration).Sum + CurrentInjection.AllIdentifiedPeaks.Where(function (x) x.Compound_Name.ToUpper() = "D8THC").Where(function (x) x.Compound_Concentration > 0 ).Select(function(x) x.Compound_Concentration).Sum) Total Cannabinoids CurrentInjection.AllIdentifiedPeaks.Where(function (x) x.Compound_Concentration > 0 ).Select(function(x) x.Compound_Concentration).Sum

creating Custom calculation

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