Chromatography Forum

Hello
I'm looking for a way to convert an HPLC trace as text file into something I can integrate.
The data originates from a synthesis module that is controlled with Labview, and the syntesis log is saved as a text file. Like this:

Time Trap Reactor HPLC loop Out of Column UV Temperature 1 Set point 1
13:36:00 -0.123 -0.242 -0.026 -0.748 -0.088
13:36:01 -0.116 -0.234 -0.030 -0.730 -0.088
13:36:02 -0.119 -0.238 -0.033 -0.739 -0.089
13:36:03 -0.129 -0.248 -0.031 -0.739 -0.088
13:36:04 -0.125 -0.254 -0.031 -0.746 -0.088
13:36:05 -0.121 -0.243 -0.032 -0.751 -0.088
13:36:06 -0.129 -0.256 -0.033 -0.744 -0.088

-So I need to be able to integrate in order to determine the crude purity.
I have searched a lot but I haven't been able to find a way do this.

In advance thanks
Erik

Impossible to say anything without knowing what all those numbers stand for.

Sorry for not being clearer
Far left column is time and would be values for the x-axis and the column "out of column" would be values for the y-axis.

Thanks
Erik

I'm looking for a way to convert an HPLC trace as text file into something I can integrate.

Could you be a little more specific - what output do you need? Is it some kind of CSV file that you'll feed into your integrator? Or do you expect a fully-built integrator which will both - parse the input and integrate the area?

An example of the expected output will be the best way to explain your requirements.

In our UniChrom
File / Open ... / ASCII Text file (*.txt)
in import dialog select appropriate field delimiters and decimal point

Here is how to convert your timestamp to seconds

<?php
while(!feof(STDIN)) {
$s = fgets(STDIN);
$r = explode(' ',$s);
for ($i=0;$i<count($r);$i++) {
if ($i==0)
echo strtotime($r[$i]); // convert timestamp to seconds here
else
echo $r[$i];
echo chr(9);
}
echo "\r";
}
?>

run on your text file
php a.php <a.txt > processed.txt

Result will look like
1631356560 -0.123 -0.242 -0.026 -0.748 -0.088
1631356561 -0.116 -0.234 -0.030 -0.730 -0.088
1631356562 -0.119 -0.238 -0.033 -0.739 -0.089
1631356563 -0.129 -0.248 -0.031 -0.739 -0.088
1631356564 -0.125 -0.254 -0.031 -0.746 -0.088
1631356565 -0.121 -0.243 -0.032 -0.751 -0.088
1631356566 -0.129 -0.256 -0.033 -0.744 -0.088

Or open your text file in Excel/LO Calc and convert the first column into numbers

Yes I need both - parsing of the input and integration of the area.
Here's an example of how it looks online (during synthesis) in Labview, however I'm only able to print it as a pdf.
https://imgur.com/gallery/VFHtdwj
I'll have look at uniChrom, thanks.

\Erik

Multiple suggestions here: https://terpconnect.umd.edu/~toh/spectr ... ation.html

Thank you all for the suggestions

You could also try my R package, chromatographR (available at https://github.com/ethanbass/chromatographR). After importing the files you should be able to easily find and integrate your peaks using the fit_peaks function or do a whole list of chromatograms with get_peaks. You can check out the vignette for more details.