Mass Spectrometer Data file format Conversion

[avinashsinha]

Hi,

I want to convert a Xcaliber Raw file format of MS data (obtained from Thermofisher Polaris-Q MS) to .cdf format (netCDF format). I need to convert file format so that it can be read by FiatFLux software, which is used to estimate flux.

Thanks in Advance,

[Loekie]

Hi Avinash,

on the road map (home) page of Xcalibur look for the File Convertor in the Tools menu.

Select ANDI for your Destination file type.

Regards,

Loekie

[avinashsinha]

Hi Loekie,

First of all thanks a lot for your reply. I was able to successfully convert Xcaliber Raw file format to .cdf format from Xcaliber itself.

I require another help from you. I am using FiatFlux software for flux analysis using GCMS data. Please see below a paragraph from the USER MANUAL fron FiatFlux:-

1) Convert raw MS data to FF file
RATIO compacts and saves all data and sample-specific parameters in (-mat) files with the *.ff extension. For each analysis, MS data stored in proprietary format has to be exported first and transformed.

[1] Save the GC-MS (LC-MS) runs in the netCDF format using the MS manufacturer’s software. [I have done this part]

[2] Once the *.cdf files are ready, select Menu > Data > Convert CDF… to launch the file selection dialog. [I am not able to generate *.ff file in this step]

If the netCDF file is well formatted, an homonymous *.ff file is created and saved in the same folder as *.cdf file. Multiple file selection is possible. [/u]

Will you be able to tell why this is happening. If you require I can send you the FiatFlux software, its manual and a sample Raw MS data file for your convenience. Please provide me you e-mail-ID if you wish to help me. My mail ID is avinashsinha007@gmail.com.

Thanks a ton again,
Best Regards,
Avinash