CONFIT2000 version 4.5.8 (new):
Mössbauer spectra fitting
Last update: February 10, 2010
This application allows a complex treatment of Mössbauer spectra starting
from a setting of the background and of the individual components according to the selected
model by the mouse drag-and-drop technique. It is designed for the spectroscopy of
57Fe and 119Sn isotopes with nuclear spin values of 1/2 and 3/2. An original method has been applied combining a non-linear least-squares procedure with the
Fast Fourier Transform technique. An improved matrix formalism allows one to construct nearly
all imaginable physical models of Mössbauer spectra supported by a computer-aided
matrix model design. It is possible to introduce not only hyperfine magnetic field
distributions, but now also doublets quadrupole splitting distribution
with a Gaussian profile. In the connection with the distribution
it is always supposed that the quadrupole interaction is much weaker than the
magnetic one. When the final thickness of the sample has to be considered,
the transmission integral calculation can be established. A special parameter can be introduced that characterises the increase in the width of all spectra lines in dependence on their distance from the spectrum middle (on the absolute velocity). The fitted spectra
can be taken in the transmission or back-scattering (conversion electrons)
geometry. The fitting process is very fast also for complicated spectra.
Overview of main features:
World's first Mössbauer program utilizing the convolution algorithm in the fitting of overlapped Mössbauer spectra
Mössbauer program integrating the fitting of crystalline and amorphous (distribution) models in a single fit menu system
World's first Mössbauer program with full Windows 98/2k/XP/Vista support in which the setting of the model components is fully mouse-oriented with immediate possibility of modification
World's first Mössbauer program that can be opened in an application window of at least 800 x 600 pixel and run contemporary with other applications
Easy modification of the model for other spectra of the same kind
Immediate clipboard and printing functions and/or output to standard files for graphs and spreadsheets (also for subspectra and their arbitrary sum)
Able to fit different distributions together with discrete subspectra of crsytalline sites
Transmission and back-scattering (conversion) modes
Thin absorber approximation: transmission Integral calculation for a convolution of Lorentzian with Gaussian component
Possibility of adding and subtracting of spectra
Able to calibrate and fit unfolded spectra as well as folded ones
Isotopes: 57Fe and 119Sn
Correction factor for velocity dependent line-widths
Enhanced component editing and possibility to change the sequence of individual components in the list of sextets, doublets or singlets
RTF report file containing final values of component characteristics together with their summary and a figure with a final spectrum fit
Compressed BMP file containing simple figure with a final fit of the spectrum
Also older parameter files from the processing history can be used for opening the fitting process
Individual sextets can have their own intensity ratios of inner to outer lines according to the nature of magnetic ordering of individual components
The scale of the spectrum effect axis can be extended or shrunken making easier to set-up models with combination of components having large intensity difference or poor statistics
There was removed the historical drawback interpreting the constants of quadrupole interaction as a half of the value used nowadays normally in the Mössbauer community
It is possible to level spectra with sloping background which can occur in case of long term measurements as a result of some spectrometer imperfectness
Each parameter value can be completed with lower and/or upper boundary, limiting the changes of the respective fitted parameter
Full Windows 98/2k/XP/Vista support
Easier treatment of calibration spectra, both sodium nitroprusside and metallic iron (2, 4, or 6 lines)
The WEB binary format as used by the WMOSS software was included into the input capabilities
The Demo version is no more restricted to the single component and allows introducing of the same combination of various components as the full version
The background level can be changed using the mouse drag, similarly to the individual components
The WIS and WS5 text formats as used by the software of the firm “WissEl” were included into the input capabilities
It is possible to set the linewidth also using the mouse dragging after clicking on the line peak
The possibility of automated correction of dropped points was introduced
The Help system was changed from "WinHelp" to "HTMLHelp", acceptable also for Windows Vista
Summary tables as a new approach to the management of components linking - NEW!
Actual basic parameters limits (can be changed upon request)
maximal number of experimental points: 1024
maximal number of all parameters: 105
maximal number of components: 99
number of submatrices: 4
number of distribution submatrices: 1
