Report to calculate RRT and rank

Hi t0by

Calculation of RRT is available from the General settings of the Compound identification section of the processing method.  RRT is only calculated for identified compounds.

I guess for the ranking, you'll need to build a custom calculation, using the custom calculation editor from OpenLab Data Analysis.

Hope that is a good start for you.

/Andy

Hi Andy,

Thanks for the response, I've been able to sort however I'm still struggling with the RRT.

Do you know how the Agilent RRT works and how you go about setting the reference as I've tried following the guidance online and it doesn't seem to be working.

The hope is that alongside RT we can also give RRT, with it being relative to the retention time of another compound that would be included in the run, so if compound X eluted at 10 minutes and the reference eluted at 5 minutes, it would be RRT of 2. Is that how the agilent RRT functions.

Again, thank you very much for your reply, look forward to hearing from you.

Toby

Hi t0by

Here's some screenshots that show you where to set up RRT calculation.

Enable RRT in Compound>Identification>General

Then, identify the reference compound(s) and link the reference compound to other compounds in the method from the Compounds Table in Compounds>Identification

The calculation of RRT is shown in the help:

Your calculation of RRT is the same as used in OpenLab CDS!

/Andy

Thank you for all your help on this topic, I will give it a go!

Hi wydnaa,

Thank you for your help, I was wondering if you could answer a few final questions I had on this matter. I've tried setting up the RRT however it doesn't seem to be allowing me to use a reference from a previous injection and it seems to only allow for RRT within a single injection, this is an issue as my first injection would be my reference and I'd like subsequent injections of sample to use this initial value as the reference. I'm not sure if its not possible to do in the software or if I just can't find it.

Just for info, my sample changes every injection but it is known.

If you're aware of anything that could help please let me know.

Thanks

Toby

Hi t0by

The reference peak has to be present in each sample to calculate RRT.

Since this isn't the case for you, I guess that you need to use a custom calculation or a calculation in a report template to calculate something equivalent to RRT for all of the samples.

The report template is probably the simplest to do, if I understand what you are doing correctly.

I would create a table in a single sequence summary report that has a filter to show only your reference compound from the first injection.  The RT of that compound can then be saved as a variable which can then be used in a custom column in tables used to summarise the results of the remaining samples.

Does that make sense? 

/Andy