Automatic integration tool

[hselia]

First off - we're using nearly all types/brands of chromatography software in our university, recently we also started with Clarity because of it's price and support of different systems. It's running fine.
For most of our HPLC's/GC's it's running as a data acquisition station only, not for controlling (lots of older instruments ).

What keeps us away from buying Clarity to replace the other systems is the manual integration feature. Our students prefer by far the way Chromeleon offers - it's simple, fast and intuitive.
Using the mouse you can simply mark a peak, press del to delete it, you can zoom, add a new peak or modify the integration of an existing peak without clicking on tiny icons somewhere on the screen. The tool (mouse cursor) switches automatically when moved to the signal or an existing peak marker. Integrating H53 is done in seconds by students after a short introduction. You can click on the integration baseline and move it, shorten it etc., like using a pen on a chart.

When we have to work with EZChrom, Clarity or other software with "table based" integration it takes a much longer time and doesn't always give the result wanted.

It would be great to replace the over 30 icons with this tool. It would replace all other systems, and I've heard this from other labs, too.

Internal issue tracking ID: 30321

[Daniel Mentlik]

Dear Gerd,
we have already included such suggestion (tracked as ISS-30321 in our internal bug tracking system) for future implementation, but due to the complexity of the task it is yet unscheduled to any future version. Please understand that the software in question use different approach of evaluating peaks altogether - where in Clarity there are already integrated peaks after measurement of the chromatogram, in Chromeleon you have to apply the processing method.

Feel free to vote for the feature, as it may rise the priority of the feature and push it into earlier implementation.

[hselia]

Thanks Daniel!

I know it is not an easy thing to do because if the different software architecture, but for those who want manual integration (we determine PAH's in different soil samples for example, there's no other way) it should be possible to inhibit integration and then add peaks manually. That would be a killer feature!

[ACSolutions]

Thanks Daniel!

I know it is not an easy thing to do because if the different software architecture, but for those who want manual integration (we determine PAH's in different soil samples for example, there's no other way) it should be possible to inhibit integration and then add peaks manually. That would be a killer feature!

Dear Gerd,

What you are asking, can already be done in Clarity, I think. Following steps should be taken:

1. Baseline - Lock : Time A: 0 ; Time B: 0 (Put this in the Method Parameters, so by default no integration will take place)
2. Peak - Add Positive: use the User Interface to select start and ending point of the preferred peak
3. Repeat "2" for the number of peaks you want to integrate

I just tried this and it works well. I have no peaks integrated after the run, because the Baseline - Lock has been transferred from the Method to the data file.

[hselia]

Thanks!

Seems to work, I'll try this with my students next year.
However, you still have to work with all these icons instead of the automatic tool (those who worked with Chromeleon know what I mean).

Looks like we're switching from Chromleon to Clarity. They don't have the old 16 channel A/D card anymore, only a two channel USB box. Too expensive.

[hselia]

Finally we dropped Chromeleon and switched to Clarity for our practical course.
However, as expected we have problems integrating correctly the H53 files.

Our usual procedure was manual integration only, between C10 to C40, horizontally at the deepest point of the integrated signal.
With Chromeleon a no-brainer: just draw the line and adjust, done in seconds.

In Clarity I locked the baseline (works ok), add peak from 1,7 to 10,37 min and apply forward horizontal.
However, integration starts not at 1,7 but later. I tried to move the integration start with no luck - see attachment.
I simply can't force Clarity to start and stop integration at a certain time.

I've read to H53 part in the FAQ, same problems and too complicated for our students. We simply want to integrate from A to B horizontal at the deepest point...

What are we doing wrong?

[Jaroslav Kana]

However, as expected we have problems integrating correctly the H53 files.
Our usual procedure was manual integration only, between C10 to C40, horizontally at the deepest point of the integrated signal.
In Clarity I locked the baseline (works ok), add peak from 1,7 to 10,37 min and apply forward horizontal.
However, integration starts not at 1,7 but later. I tried to move the integration start with no luck - see attachment.
I simply can't force Clarity to start and stop integration at a certain time.
I've read to H53 part in the FAQ, same problems and too complicated for our students. We simply want to integrate from A to B horizontal at the deepest point...
What are we doing wrong?

Dear Gerd,
I would like to ask you to send respective chromatogram to support@dataapex.com.
If you could make of the respective chromatogram with sketch of expected integration we could provide some hints for suitable integration operations and their settings.
There is also integration operation called 'Allow Crossing' which may help in such situation https://www.dataapex.com/documentation/ ... seline.htm.

[hselia]

Thanks, I'll do that later.
What I expect is simple: start integration from 1,7 min as in the table, not 2,3 min.
Crossing is not helpful because it should not cross, it should touch the signal at the lowest point.

[Jaroslav Kana]

What I expect is simple: start integration from 1,7 min as in the table, not 2,3 min.

Dear Gerd,
I think that is feasible but quite laborious to described as written procedure. Just send the chromatogram to support@dataapex.com we will look into it.

Best Regards