Export peak data of multiple chromatrograms

[wunderlich]

Hello.

Can anyone help me. I would like to know if there is an export function to get all the peak data (time, area, height, sample name) of a series of chromatograms in a folder? As of now I am only able to open each of them, click on the data table, copy it manually to excel and then open the next chromatogramm - this is a pain for 100 samples. Is there an easier way? Thank you

[Ivan Vins]

There are several possible ways:

1) Open the chromatograms in overlay and export the summary table. Note the maximum number of chromatograms in overlay (default 20) could be changed in the User options, maximum is 10000.


2) Use the Analysis, Batch to export the data from selected chromatograms. Use the Settings, Export data to select the data to be exported and the file format. This option is not supported in Clarity Lite.


Refer to the Clarity Cooperation with Lims for further ideas

http://downloads.dataapex.com/documenta ... y-lims.pdf

[wunderlich]

Hello. Thank you for the reply.
Sadly I cannot get it to work. I have not done any calibration, so the summary table is empty for all samples. What I desired to do was to get a table with all the areas of all peaks in a large number of chromatograms, including the undefined ones. I want to do the calculations on calibration and peak identification externally. Is that possible or do I have to get calibration defined in clarity and then can only export final concentration values?

So what I would need is like this:

Code: Select all

Sample; Peak number; retention time; area
1;1;6,7;502
1;2;8,7;335
1;3;10.5;1056
2;1;6,7;555
....

Thanks again.

[Ivan Vins]

In case you are not using calibration, the second suggested aproach could be used.

Using the Export, Export Data from Chromatogram window, check the options:

Result table
Table headers
Full format
Append

and specify output file name and format (TXT or dbf).

In case you have a Clarity (not Clarity Lite), you could use the Analysis, Batch to select the chromatograms a perform the Export data for all of them at once.
The data will be exported to a single file, each line preceeded with a chromatogram name and date+time.

In Clarity Lite, you may need to export the chromatograms one by one, as the Batch is not supported.

[wunderlich]

thank you. The first of the two methods in your last post worked, but I had top open all chromatrgrams in overlay mode, write that export data options and confirm it with ok, not export. Then I had to move to the first sample in the overlay mode and press CTRL-E to append the report of this chromatogram to the export file, then F8 to move to the next chromatogram, then repeat that until the last sample. Not fully automated, but saved me a lot of time, thanks

[Ivan Vins]

With Clarity, you could perform the operation batchwise using the Analysis, Batch command from Instrument window - note the chromatograms need to be in the current project.

With Clarity Lite, the Batch command is not available - in such case you could upgrade to full Clarity (P/N C540)