|
LASE |
|
HARDWARE | |
any unix computer with X-Window (tested on alpha/digital unix; Solaris; HPUnix; linux (C source ready to compile)), Windows and Mac.
|
DOWNLOAD | |
Download it Here
|
AUTHORS | |
|
Emmanuel Curis
|
NOTES | |
LASE includes all the most common functions of EXAFS analysis and
offers a user-friendly graphical interface for them. It is mainly designed to
handle the statistical errors propagation across all treatment, including
Fourier filtering. Statistical errors are determined point by point, when
averaging spectra, but the user can replace them by other point-by-point
estimation if necessary.
- XAS extraction: preedge is modelized by a victoreen or a polynomial
function. Background is modelised by a 3 step procedure : polynom in E space,
in k space an spline in k space. The extracted spectrum is adapted in real
time (including its Fourier transform) to easily check the extraction
quality. Parameters of extraction can be saved and reapplied to other spectra.
- Fourier filtering: LASE offers an important choice of windows. It computes
the Fourier transform by the trapeze method, which also allow to compute the
correlations between the Fourier transform points and between the filtered
spectrum points.
- Model construction: LASE offers a GUI for FEFF-6 options. It has tools to
generate 3d models from cristallographic coordinates or from PDB or Cambridge
Databank files (if Open-GL is present, it can show the model on screen and it
is possible to select the atoms to keep for FEFF computations directly on the
view). It can use FEFF output files to generate a multi-shells fit model, and
shows the nature of each diffusion path on screen (if Open-GL is present).
- Fitting: LASE can fit models to experimental data in k-space, using the
classical least-square estimators (weighted or not by error
bars). Uncertainties on the fit results are determined by the use of
Monte-Carlo simulations. It offers statistical tools to analyze the
Monte-Carlo results (distribution tests, correlations, average and quadratic
dispersion,...)
Find more information
here.
|
[TOP] |
|