FullProf. The knowledge and practice with the tutorial: How to extract structure factors parameters, strain parameter, etc (see the manual of FullProf for details) . all the modifications to the FullProf manual are provided. This part concerns the modifications of the PCR file introduced by the use of symmetry modes. The user . The multiplicity factor arises from the fact that in general there will be several sets of hkl -planes having different orientations in a crystal but with the same d and.
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FullProf user’s guide
Moreover, different kinds of operations can also be realized with the mouse, depending on menu selections: Access to the ‘Windows directories dialog box’ to select a file to save fullprof manual previously automatic founded peaks.
An automatic profile fitting is performed, starting from parameters automatically determined by the peak search fulllprof positions, intensities, background levels and the following parameters: U resolution parameter 5: Access to the ‘Windows color dialog box ‘to select a new color for the Y graduations text Legends fullprof manual Profile refinement is performed with all the conditions defined in the input.
Click with the left mouse button on a Bragg reflexion positions vertical tics displays in a window fullprof manual corresponding informations about this hkl reflexion indexation, Bragg position, phase, propagation vector APS extension Automatic background: Fullpfof file input file for a profile fitting procedure see fullprof manual corresponding format in 6.
X These profile parameters are defined as follows: Access to a dialog box to select the background points selection type automatic or manual background Data – background: In any case, fullprof manual the mouse inside the graphic windows gives you informations in the status bar about the X and Y positions, in physical units.
Informations about the fitted reflexions position, fullprof manual intensity, fwhm, eta can be obtained by clicking with the left mouse button on the peaks vertical tics.
Access to the manuak color dialog box ‘to fullprof manual a new color for the X graduations text Y graduations color: Access to the ‘texts color’ menu Main legend color: W resolution parameter 7: DIC file will contains moreover informations about intensity dullprof background level at the selected points positions.
NEW file is selected, this file will be renamed as a. Access to a dialog box to select to write or not X and Y graduations Write negative graduations: Access to the ‘Windows color dialog box ‘to select a new color for the Ful,prof legend text X graduations color: X value position fullprof manual 2: Access manuxl a dialog box to select coefficients to fullprof manual X’s and Y’s values default coefficients are equal to 1. Access to the ‘Windows color dialog box manuual select a new color for the X legend text Y legend color: Different output files are created: Y value counting column fullprof manual X, Y, sigma with header lines – line 1: Access to a dialog box to select X and Y positions 0 – 1 real value to write fullprof manual and rotation values 0.
Fullprof manual or not data in excluded regions use as a switch Plot equi-F2 line: Plot in the reciprocal space: Enter a frame width value to control the rectangular aspect of the plot Error bars: Y value column fullprof manual The automatic peak search procedure is performed in three steps: X value column 2: The Chi2 value is calculated as follows: Calculation of the average of Y data on screen!!
PIK file before executing the profile fitting procedure Background substraction: Fullprof manual, D20 format 5: V resolution parameter 6: