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Chromatography Toolbox

version 1.4 (17.2 MB) by

Open-source code for processing chromatography data in the MATLAB programming environment.

17 Downloads

Updated

Chromatography Toolbox takes an object-oriented approach to chromatography data processing using the MATLAB programming environment. Current features include:

1) File Conversion
2) Baseline Correction
3) Peak Detection
4) Peak Integration
5) Visualization

Supported file extensions include:
* Agilent (.D)
* Agilent (.MS)
* netCDF (.CDF)

Visit https://github.com/chemplexity/chromatography for more information about getting started.

Comments and Ratings (4)

I suggest an edit in ExponentialGaussian.m, line 106 (after calculating the RMSDs):
rmsd(isnan(rmsd))=Inf
OR
rmsd(~isfinite(rmsd))=Inf

--Omer Markovitch--

When trying to import .RAW files, I get the following message:

>> data=obj.import('.RAW')

[IMPORT]

Importing 1 files...

Format : .RAW

Input data of type 'V.66' is currently unsupported.
[1/1] Error loading '/Users/michaelwagner/Desktop/raw files/Len.raw'
Unable to import selection

data =

1x0 struct array with fields:

id
name
file
sample
method
time
tic
xic
mz
backup
status
Is there anyway I can make these RAW files in V.66 type to a type that can be read by the toolbox?
I run experiments on a Thermo Q Exactive spectrometer. Not sure if this makes a difference. Thanks for any help!

Dear James Dillon, does your ImportMZXML function reads mzXML 3.1 format? If so, can I get the average of the whole chromatogram into a vector, and further into a matrix (from a batch of different analysis)?
Thanks

SINA

SINA (view profile)

Updates

1.4

Fixed MATLAB File Exchange description.

MATLAB Release
MATLAB 8.3 (R2014a)

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