I would like to use compound Math with multiple compound groups, is this possible?

Hello Chalbrecht ,

Compound math aggregate compounds can only contain one group. That group cannot be a group of groups, at least the last time I looked at this in 10.x. I'm not aware of any changes in later versions. If multiple groups are specified it will either do nothing or may only work on the first group. 

I'm not exactly following what you want to do. If you want to have a compound math group for BTEX, VOC, etc, you would need to make new aggregate compound for each group. 

If you want to perform compound math on multiple compound math results that is not possible with compound math. You could program a script or custom calculation to do this, but that would be the only option I'm aware of.

Thanks Howard, How could I incorporate a sum calculation into report builder? Would it have to be an expression or script? 

Hello Chalbrecht ,

From what I can find the Report Builder ScriptBox allows for the execution of an expression but it does not appear to allow for any output in the report. Scriptbox are used in some of the shipping templates to define Footer elements with information from other sections of the report. 

You will need to utilize the techniques from this discussion if you want to create calculation expressions in Report Builder.

(+) Add statistics (mean, stdev) for a column in MassHunter Report Builder - Forum - Mass Spectrometry Software - Agilent Community

Hello Chalbrecht ,

From what I can find the Report Builder ScriptBox allows for the execution of an expression but it does not appear to allow for any output in the report. Scriptbox are used in some of the shipping templates to define Footer elements with information from other sections of the report. 

You will need to utilize the techniques from this discussion if you want to create calculation expressions in Report Builder.

(+) Add statistics (mean, stdev) for a column in MassHunter Report Builder - Forum - Mass Spectrometry Software - Agilent Community

Hi Howard,

Thanks, I'm figuring that I need an expression. My hitch is that I need to calculate a sum on two compounds out of a list of 84. I can't use compound math but I can use sample groups or user defined fields - so I think I would need table data bindings or IF statements - but I'm not sure how to accomplish this. I've tried to create simple sum expressions but haven't been very successful. There are no examples of Sum. 

Hello Chalbrecht ,

If it is just the sum of two compounds then you can use compound math. If you already have the compounds in a group for one compound math you can just make another group and make another compound math compound. In this example I use group a to calculate both the sum and average of the response for 2 compounds. Then group b calculates the sum of one of the compounds already in group a and a compound that is only in group b.

If needed I could put all of these in group c and calculate its sum.

Doing this in a report would require that you run an expression as you go through a list or table of results, filter on the desired compounds, and then add them to a summing variable. Once completed you would need to figure out how you want to report the value. The variable will persist through the report, as shown in the example in the discussion mentioned above. 

I need the compounds in multiple groups for reporting/data review reasons, so I can't use compound math.