Parameters and exports from MS-DIAL console application

Topic: Parameters and exports from MS-DIAL console application (Read 3236 times) previous topic - next topic

Parameters and exports from MS-DIAL console application

July 01, 2021, 07:34:26 AM

Hello, thank you for your software!

I am trying to use the MS-DIAL console application for isotope tracer analysis (lcms-dda). Is this somehow possible? I guess it is not possible to simply use a parameter.txt file that can be exported from the GUI (at least I did not manage)?

I would also like to automatically export csv-files for the unaligned as well as the aligned peaks after the console application finished.

Thank you in advance!
Yasin

Re: Parameters and exports from MS-DIAL console application

Reply #1 – July 03, 2021, 08:14:42 AM

Solved it.

It is possible to simply export parameters from the MS-DIAl GUI as .txt file which can then be used as parameter-file for the console application (just made a mistake before). The .msdial files which are then exported into the output folder seem to be actual .txt files which could for example be imported into R as such.

Re: Parameters and exports from MS-DIAL console application

Reply #2 – July 04, 2021, 06:22:39 AM

However, what I did not manage yet is to get the aligned raw data matric (Area) instead of the 'Height' matrix,.. ist that somehow possible?

Re: Parameters and exports from MS-DIAL console application

Reply #3 – July 09, 2021, 05:19:41 PM

Hi,

by the command line application, right? Sorry, no. From the command line application, users cannot export the result by area instead of height...If you can write the source code, you can modify this by yourself because the source code is also available in my website.. From the next version, I will put such function to export the peak area in the command line tool.

Hiroshi

Re: Parameters and exports from MS-DIAL console application

Reply #4 – July 10, 2021, 12:49:41 AM

Hello,

yes that would be cool thank you! And regarding the isotopic tracing function I realized that while my parameter file (exported parameters with isotope tracing 13C+15N 'on' is tolerated by the command line application it is also ignored by it. Am I doing it wrong or is this not possible yet?

Thank you,
Yasin