Automated extraction of EIC

Hello,

See below for relevant section from the OpenLab Help and Learning:

For your reporting question I will need more details. Screenshots can also be very useful when describing what you want to be performed on a report. 

In addition of what ryoboyle is saying, 

To sum up different compounds quantified individually, the easiest and straight forward way is to use a named group. You can add a named group in the compound identification table, right-clicking, and selecting add named group. You'll then need to select the compounds which should be part of the group, the amounts will be summed. You can use the MS Quantitative Short/Long report which will report your individual quantified peaks, as well as the groups in a separated table (timed or named groups).

There is also a table in reporting items on the left which reports peaks,missing peaks or groups together in the same table.

Regarding the EIC extraction:

There would be EICs extracted automatically when there is a compound identification/quantification in the processing method compound identification list.

In the revision CDS v2.4, there is an additional way to automatically extract the EICs. With generic MS method (not sample purity), when there is a target mass in the target fields mentioned above, there will be an EIC extracted for each target (but in this case at target mass. Example: if target mass is 311, the EIC will be extracted at 310.7-311.7 with default EIC extraction setting).

Oh, I understand where is the issue. Thank you for taking the time describing this. 

Would you mind sharing your template that I can do a modification on it? 

I will try something which I suspect is the problem you see on that summary table.  I will also give you another option, which would be another way to do it.

Thank you!

Thank you for your responses. I tried to get the sum of different compounds through custom calculations, however, I ended with different tables in the report showing different values and averages for 3 injections, which is what I need.

Using named groups it seems easier, however, I still struggle with reporting - I have total of 6 compounds in the method, not all of them are present in the sample. When I create a table with all compounds listed, it shows the named group (named 'total') 6x per injection. When I check field for 'Remove duplicate peak(s)' in table properties, it shows detected compounds correct but only 1 injection of 3 for the total.

I'd prefer to show only 1 line of total per injection, but I'm not sure if there's any additional settings to look at.

Also I'd like to have the unit diplayed next to the average number for each compound and total, however, the field for average seems to be only available for numerical values, so it doesn't apply to 'Unit'. Is there any workaround for that?

Thank you.

What would be the best way to send the template? I'd prefer to not disclose it publicly if possible.

Sounds a good plan. rak, If this solution works for you, I added you on my following list.

To keep more confidentiality, ou can also extract only that particular table, as following:

1. Select the table you have, and right-click, then select "Group".

2. Once you have a group, around your table (if that was already the case, you can skip the step 1), select this surrounding frame representing the group, and select "Save Composite Group".

3. Give a name, and you will see this custom report item in the reporting item list:

But also as a file in Content Management under report templates (for Workstation Plus or Client Server systems), or in windows explorer for file based systems:

This type of report items are designer tools to help saving custom reporting sections you may want to reuse in other templates.

4. You can send me that *.ircg file.