[Ifeffit] Principal Component Analysis (PCA) for XANES

2014-07-02 Thread Teck Kwang Choo
Hi Everyone, Does anyone know what software I should use to perform a Principal Component Analysis (PCA) on my K-edge XANES spectra (for sulfur)? The reason I need to use this technique is because I have a couple of reference compound spectra but am not sure which of those I should use to fit my

Re: [Ifeffit] Principal Component Analysis (PCA) for XANES

2014-07-02 Thread Amayri, Dr. Samer
...@millenia.cars.aps.anl.gov [mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of Teck Kwang Choo Sent: Wednesday, July 02, 2014 7:59 AM To: XAFS Analysis using Ifeffit Subject: [Ifeffit] Principal Component Analysis (PCA) for XANES Hi Everyone, Does anyone know what software I should use to perform

Re: [Ifeffit] Principal Component Analysis (PCA) for XANES

2014-07-02 Thread fred.mosselmans
Dear Teck, ITFA does transformation factor analysis as well, if you just want to do PCA, the PCA module in Sam Webb's sixpack is quite intuitive to use. https://home.comcast.net/~sam_webb/sixpack.html cheers Fred -- This e-mail and any attachments may contain confidential, copyright and or

Re: [Ifeffit] Principal Component Analysis (PCA) for XANES

2014-07-02 Thread Matthew Marcus
Athena (IFEFFIT package) does it. So does the ALS Beamline 10.3.2 software package at https://sites.google.com/a/lbl.gov/microxas-lbl-gov/software . If you can't get at it there, I can send the executable and manual. mam On 7/1/2014 10:59 PM, Teck Kwang Choo wrote: Hi Everyone, Does