GSTools

A set of matlab functions to read, write and deal with .spc spectra and spectral descriptions

Description

GSTools v0.4.3

This toolbox is an implementation to open and save SPC-spectra in matlab.

Additional routines are supplied as well: e.g.:
- GSImportspec: loads all SPC-files in a map
- GSDendrogram: this is to be used as a supplement to the matlab's toolbox function Dendrogram. GSDendrogram allows the user to put coloured labels with the samples names under the dendrogram. properly are added.
- BTree class: a binary tree implementation, which offers the user to easily inspect the different items in a list, as well as the positions of these different items. This combined approach makes it easy to work with numeric arrays and stringlists, such as spectral descriptions.

A PDF with detailed information on the usage (including some sample code) is supplied in the zip-archive.

GSTools is also included in the Biodata toolbox (doi: 10.1016/j.chemolab.2008.08.003).

• Required Products: Statistics Toolbox
• MATLAB release: MATLAB 6.5 (R13)
• Other requirements: Statistics toolbox is only required in order to make dendrograms.
• HTML Files: GSTools/history.html

Other Files

GSTools/@BTree/About.m,
GSTools/@BTree/Add.m,
GSTools/@BTree/BTree.m,
GSTools/@BTree/Count.m,
GSTools/@BTree/display.m,
GSTools/@BTree/getitem.m,
GSTools/@BTree/GetItems.m,
GSTools/@BTree/GetItemWithMostValues.m,
GSTools/@BTree/GetSortedItemsList.m,
GSTools/@BTree/history.txt,
GSTools/@BTree/isitem.m,
GSTools/@BTree/Plot.m,
GSTools/@BTree/private/ConvertToBTree.m,
GSTools/@BTree/private/DoCompare.m,
GSTools/@BTree/private/GetThem.m,
GSTools/@BTree/private/searchitem.m,
GSTools/@BTree/subsasgn.m,
GSTools/@BTree/subsref.m,
GSTools/@BTree/version.txt,
GSTools/@BTree/WriteContentsToFile.m,
GSTools/Additional/CatBlank.m,
GSTools/Additional/loadcell.m,
GSTools/Additional/LocateItem.m,
GSTools/Additional/MakeVector.m,
GSTools/Additional/mystrcmp.m,
GSTools/Additional/str.m,
GSTools/Additional/str2.m,
GSTools/Additional/trimleft.m,
GSTools/Additional/trimright.m,
GSTools/Additional/trimstr.m,
GSTools/Contents.m,
GSTools/DetermineClusters.m,
GSTools/GetSPCAxisTypes.m,
GSTools/GetTechniques.m,
GSTools/gpl-3.0.pdf,
GSTools/GSDendrogram.m,
GSTools/GSImportspec.m,
GSTools/GSSpcRead.m,
GSTools/GSSpcReadStructure.m,
GSTools/GSSpcWrite.m,
GSTools/GSTools 0.4.3 manual.pdf,
GSTools/GSToolsAbout.m,
license.txt

[Rachel Rohde]

I have only used this for reading in an .spc file. It worked great. It even plots the spectra so you know it was loaded properly.

[Rich Williams]

Haven't used it for .spc files, but it includes an easy to use BTree class. Note that the @BTree\private\DoCompare.m method will fail upon unsigned types unless you replace the line

     tmp = item - value;

with

     tmp = (item > value) - (item < value);

[Dominique Bertrand]

I needed to import SPC files and it works immediately.

[Gerbe van Dreumel]

Use it for importing multi-dimensional spectra: and it works perfect!

[Pall Thordarson]

Just downloaded it to convert SPC Raman data and it works perfectly! Noted a small error in the manual on page 2: plot (SData.xaxis, data);
doesn't work, just change to:
plot (SData.xaxis, Sdata.data); and it works fine.

[matt o'brien]

fantastic bit of code, works better than the old GRAMS converter ive been using until now!

[Cameron Bowles]

fixed-point signed fractions,

I ran into one last problem, the exponent values in the headers/subheaders are in char form, meaning that if they are between 129 - 255, then they are actually between -127 to -1, or at least they are in the files I am reading in.

this causes the Y-axis to be incorrectly scaled, the fix I put in for this is in GSSpcRead; line 689, I inserted the following check loop at 689;

if YScalingExp > 128
      YScalingExp = YScalingExp-256;
end
 then the file should continue
CurrSpec = ........

I assume the process would be the same for the 16 bit input integers, in which case you would have to also put that check into line 675.

[Cameron Bowles]

I found an error for opening multifiles using GSSpcRead.m.

line 437 is;
data = zeros (l,Specdata.spectra(1).data);

and it should be;
data = zeros (l,length(Specdata.spectra(1).data));

Other then that I have had no problems, a great piece of code, good work Kris