Dear Christina,
Chi2 may be small because of a high noise, so it indicates that the
model is over-refined with respect to the quality of the data (quick
collection using analyzer crystal). This is a trivial case and you
can't help it.
The other (more likely) option is that you have low-noise dat
iffractogram' are now represented by a spectrum
of values, like a diagonalised matrix. Needless to say that in many
cases FT is standing between us and the physics and a
spectrum we see does not represent (directly!) a picture of the physics
behind any more.
Lubo
On Fri, 12 Feb 2010, Yaroslav
Title: Re: diffraction patterns or spectra
Dear Brian,
to me spectroscopy sounds as a technique were an energy spectrum is used,
i.e. the light of different energies has a different absorption coefficient (IR),
or there is a different energy transfer for a fixed wavelength (Raman, INS, IXS).
X
Dear Martin,
What is called "texture" in the link you've provided actually is a
"bad powder average". Texture sounds to me as a rather general term,
while "preferred orientation" is its particular case. Texture is
the distribution of crystallographic orientations in a
polycryst
Dear Gerard,
The low-angle intensity problem might come from disordered
regions, like water or solvent molecules occupying some voids.
Also, poor modeling of weakly scattering atoms, like hydrogen,
may lead to the similar problem.
Best regards,
Yaroslav
http://filinchuk.com
===
You can merge the equivalents using Xprep.
===8<==Original message text===
Dear All
Does anyone know a program for removing redundant and/or
symmetry-equivalent reflections from single crystal datasets
(typically hkl-files: h k l intensity)? Such data is necessary for
th
