importing cdf (raw) from Waters

[crestre]

Hi Ethan,

This is a reply to the issue that I opened previously (https://github.com/ethanbass/chromatographR/issues/29).

When exporting from the Waters instrument via their software (Empower) there are two options: 1) ascii (the resulting files have the .arw extension) and 2) raw (the resulting files have the .cdf extension).

[ethanbass]

I think you would access the Waters .raw files from the file system. You shouldn't have to export them. I don't know off hand where Empower stores the raw data files though. Probably there's a data folder or something like that?

Maybe you could try following the instructions at this link if you are having trouble finding where the raw data files are stored: https://support.waters.com/KB_Inf/Empower_Breeze/WKB13277_Where_can_I_find_the_Raw_Data_Path_in_Empower

[crestre]

I followed your instructions and to an error message that reads: Error in strsplit(ini[cli_index], "=")[[1]] : subscript out of bounds

I will check in the computer that has that software.

[ethanbass]

I followed your instructions and to an error message that reads: Error in strsplit(ini[cli_index], "=")[[1]] : subscript out of bounds

Hmm. This is an issue with the configuration of openChrom. What OS are you using?

[crestre]

I am working on a PC running on Windows 10

[ethanbass]

And you're still using the latest version of chromConverter from GitHub? It should be version 0.4.3 if you run packageVersion("chromConverter")

[crestre]

Yes, that is the library that I am using.

I also tried opening the wt15.CDF from the faakKO library that is used in the library xcms - I get the same message.

[ethanbass]

It's not working because apparently OpenChrom recently removed the support for the command line interface (https://github.com/eclipse/chemclipse/issues/1393). You could try downloading the older version of OpenChrom (version 1.4) that still included the command line interface.

[crestre]

Thanks a lot!