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readBrukerFlexData

Project Status: Inactive - The project has reached a stable, usable state but is no longer being actively developed; support/maintenance will be provided as time allows. license metacran version metacran downloads CRAN check result

Description

The readBrukerFlexData package reads data files acquired by MALDI-TOF MS on Bruker Daltonics machines of the *flex series (autoflex, microflex, ultraflex).

The package was developed without any knowledge nor even support by Bruker Daltonics.

All trademarks are owned by or licensed to Bruker Daltonics.

File Format

See the wiki for notes about the file format.

Install

install.packages("readBrukerFlexData")

readbrukerflexdata's People

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phlppknst royak zhengjiewhu ztsin ahanna13

readbrukerflexdata's Issues

Difference between "acqu" and "acqus" file?

Hello everyone. We are currently using MALDIquant to read the Bruker spectras of our client. Today we notices a problem. We received an export of the newest software version of the bruker biotyper. The readBrukerFlex failed to read it because there was no "acqu" file present only an "acqus" file. Could it be that this file not exported anymore?

Shift in masses

We have been using this package to convert our Bruker Ultraflex files in to csv for use on open source software. It has been working really well for us in the past, however, now were are running our samples on the Bruker ultrafleXtreme there seems to be a problem when it calculates the masses. They all seem to be shifted by at least 4000Da. I have made sure that the calibration is using the quadratic method (as previously we noticed that using the cubic calibration also caused this problem). Is there any way this can be resolved?
Many thanks
Sarah

Errorously parsing Bruker *.fid

When I read the *.fid, I got a wrong parsing. As you can see in following figures:

When I read the bruker *.fid, I got this
before_bruker

But if I read the transformed *.mzxml, I got this
after_mzxml

There is a shift in m/z. After suspected the file in bruker software, I found the first one is wrong. For your reference, I also attached the input files here.
0_P10.mzXML.zip
0_P10.zip

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