Hi,

In our lab we used OPUS as well as Kinetics (home written) programs working on Matlab. You can ask for it. Send an e-mail to Erik Goormaghtigh ([email protected]) our Head of the Department at SFMB, ULB, Brussels. But as suggested by Mr Quintas, it is depending on what you want to investigate.

Hi, it depends on what you want to do. Instrument software like OPUS (Bruker) are very useful for most of the common analyses (spectra pre-treatment, linear regression (PLS,...), clustering, etc), but if you want to go further I'd choose matlab

Hi,

In our lab we used OPUS as well as Kinetics (home written) programs working on Matlab. You can ask for it. Send an e-mail to Erik Goormaghtigh ([email protected]) our Head of the Department at SFMB, ULB, Brussels. But as suggested by Mr Quintas, it is depending on what you want to investigate.

Hi Emrulla,

take a look at this publication:

http://www.ncbi.nlm.nih.gov/pubmed/23178669

or at researchgate:

https://www.researchgate.net/publication/233768706_Tackling_the_minority_sulfate-reducing_bacteria_in_an_archaea-dominated_subsurface_biofilm

We generated PCAs etc from FTIR data and the material and methods section is very detailed.

Best, Alex

Article Tackling the minority: Sulfate-reducing bacteria in an Archa...

There are many... each spectrometer manufacturer prefers their own and all of them have nice features. I think Origin or IgorPro is very good as a general tool. If you want to do cluster analysis, there are commercial tools as well, like the Unscrambler or CytoSpec (if you are interested in mapping), but Matlab has functions for such procedures too. An interesting tool is "autoclass" that is a Bayesian classification algorithm from NASA provided free of charge.

thanks to all

OPUS seems to be well for cluster analysis. The con is that you need to convert the spectra to opus format one by one and sometimes gives errors.

Thank you Forenc, I will try to check the ones that you suggested as well.

For analysis you can use the software of the manufacturer.

I personally prefer OPUS and Originlab.

Opus for the FTIR processing, Origin for graphing.

There is no need to convert spectra to OPUS format to be able to open it in OPUS. You can open data tables in OPUS. Plus it has the option to use different windows even though you may have different pop-ups...clone function etc....

How can I combine 3 FTIR spectra in one graph?

@ Fatema H. Brishti Use origin graphical software. and Add Y and multiple X axis data.

>select all > write click > Stacked lines by Y offsets

cheers!

@H.N.P Dayarathne Thank you

With the help of Orgin Software we can combine the spectra in single graph.