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| XANES dactyloscope (a program for quick and rigorous XANES analysis for Windows) |
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| HARDWARE | |
Windows
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| DOWNLOAD | |
Download the latest version here
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| AUTHORS | |
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K.V.Klementev
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| NOTES | |
The program is designed for analysis of XANES-data ('fingerprints') with
maximum visual
control and includes various steps:
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Energy calibration (using the reference curve or can be set manually).
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Deconvolution of absorption coefficient with monochromator resolution curve
and/or core-hole
lifetime deconvolution.
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Transformation to a new equidistant grid
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Pre-edge background subtraction (a polinomial with chosen powers)
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Correction by an arbitrariry chosen function
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Normalization to unity
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Base line subtraction (useful for analysis of pre-edge peaks). The base line is
a spline drawn through manually adjusted knots.
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Fitting by an arbitrary formula, any parameter of which is either a fitting
value
or another loaded spectrum (experimental or calculated one) whose energy shift
can
be varied. The model curve can be convolved with an appropriate broadening
function.
All fit parameters can be fixed and/or constrained. Advanced error analysis is
developed and applied: optionally, the fitting uncertainties can be found with
neglected pair correlations, with maximum pair correlations, or via Bayesian
analysis (with all pair correlations). Contour maps for chi2 function
can be drawn for each pair of parameters. Statistical chi2- and F-
tests can be performed at user request.
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Principal component analysis or target transformation. If a spectrum is one of
the spectra forming the vector space dimensionality of which is sought for, this
spectrum
is reconstructed with a chosen number of principal components. If a spectrum
does not belong to this space, the target transformation of this spectrum is
performed.
Any time, all curves and their changes under processing are visual. You can see
also
I0 and I1 currents and derivatives of mu (with possible
smoothing).
For a pair of spectra, their difference can be taken (for XMCD). Also, for all
spectra
loaded, the average spectrum and the rms deviation spectrum can be
calculated.
Data file structure is tunable and flexible, no previous conversion needed to
load multiple column files from different EXAFS stations. User should specify
the file
header and how to interpret and use the columns of data (or functions of these
columns). Once described, the data formats are then recognized automatically.
Several data files can be loaded and processed simultaneously (the best way for
this is to load one
spectrum, chose appropriate settings and to load all other spectra; the settings
for
these will be cloned).
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