[Ifeffit] Calculation of SPOIL value for the reconstruction of standard spectra

Montarges-pelletier Emmanuelle emmanuelle.montarges at univ-lorraine.fr
Wed Jan 4 06:24:59 CST 2017

" <ifeffit at millenia.cars.aps.anl.gov>
Content-Transfer-Encoding: quoted-printable
Mime-Version: 1.0 (1.0)

Dear all
I have performed PCA on a set of 13 XAS spectra, and tried to validate the m=
odel compounds or standards using the Target Transform function on ATHENA (d=
emeter 09.22). I could get the TT coefficients for every standard.
Is there a simple way to calculate the SPOIL value from the Target Transform=
Indeed, although graphics can be used to demonstrate that such and such stan=
dard are relevant to fit experimental data, SPOIL values are often reported .=

Thanks in advance for your answer
Best regards and Best wishes for 2017.
Emmanuelle Montarges-Pelletier
CNRS universit=C3=A9 de lorraine
Emmanuelle.montarges at univ-lorraine.fr=

More information about the Ifeffit mailing list