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Alt-k and Alt-j can be used to move the current group up and down in the group list.
Crtl-k and Ctrl-j can be used to select the group above or below the current group.
Many commonly used functions have keyboard shortcuts, they are listed in the menus.
Right click on parameter labels to constrain parameters between groups.
Right click on section headers in the main window to constrain parameters between groups.
The automated alignment algorithm works by fitting an energy shift and a scaling factor to minimize the difference between derivative spectra.
Data can be merged as mu(E), norm(E), or chi(k).
Data should always be aligned BEFORE merging.
Data can be displayed as k-weighted chi(E), i.e. chi(k) with the x-axis in energy. See the "Plot in k" tab.
See Physical Review B47:21 (1993) p. 14126 for details of the AUTOBK algorithm (DOI:10.1103/PhysRevB.47.14126).
See J. Synchrotron Rad. 8 (2001) p. 322 for details about Ifeffit (DOI: 10.1107/S0909049500016964).
Demeter's homepage is http://bruceravel.github.io/demeter.
Right clicking on a data group pops up a menu for plotting and group actions.
Files can be dragged from a file manager and dropped on the group list.
Back-transformed k-space is called "q-space" in Athena.
A "kq" plot over-plots chi(k) and the real part of chi(q).
The plot multiplier is a multiplicative scaling factor used in many plots.
The y-axis offset is a vertical displacement when the group is plotted.
Vertical displacements for plots can be set for marked groups using the Stack tab.
The Indicators plot options tab sets plot indicators -- indicators are vertical bars which can be places in any plot.
Plot indicators in k are also plotted in E and q, and vice versa.
The project journal will be saved in the project file -- use it to record notes about your data analysis.
Athena is highly configurable -- see the Preferences tool.
To report bugs or make suggestions, use the Ifeffit mailing list, http://cars9.uchicago.edu/mailman/listinfo/ifeffit/.
Right click on the "kq" button to display the quad plot for the current group.
Right click on the orange "E" button to display the current group + I0 + the signal.
You can quickly configure the title and legend of the plot using the "Title, legend, single file" plot options tab.
Larch's homepage is http://xraypy.github.io/xraylarch/.
Right click on the "edge step" label to approximate the uncertainty in edge step, which is calculated as the standard deviation of 20 normalizations with the pre- and post-edge line boundaries randomized.
Right click on the orange "k" or "R" buttons to show the "k123" or "R123" plots.
The save button at the top of the page slowly turns red as you work -- when it is bright red, saving your work is overdue!.
Finding the white line position works by locating the first peak -- i.e. a point with zero derivative -- after the E0 value.
In the File menu there is a way to export data processing parameters for groups in the form of an Excel spreadsheet.
Do you want to make beautiful plots for publication? Use the various Save options in the File menu to save column data which can be imported into your favorite plotting program.
Marking groups by regular expression -- Shift-Ctrl-R -- is a powerful way of selecting data groups. A couple examples: "Ref" will select all reference groups, "\A\d" will select all groups that start with a number.
Freezing groups is a way of avoiding changing, perhaps by accident, your carefully selected values of data processing parameters.
Select "Shrink" from the plot options tabs to hide the k-weight and plot options controls, allowing more room for the groups list.
Plotting styles are collections of plot ranges and other plotting parameters that can be quickly changed.
Saving the next plot to a file (see the "Title, legend, single file" tab) will save the contents of the most recent plot to a column data file so that it can easily be recreated in another plotting program.
You can introduce a short pause between the plotting of traces in a marked groups plot (see the "Title, legend, single file" tab) to better see the evolution of trends in your data.
Would you like to see the effect of changing a paremeter's value on your data? Use the "Copy series" tool.
Would you like to examine a summation of spectra that is not quite a merge and not quite a linear combination fitting result? Use the "Data summation" tool to make arbitrary sums of spectra.
Calibration of data means to apply an energy shift AND select a value for E0.
The data alignment tool only applies an energy shift value. It does not also constrain the value of E0 -- you may need to do so by hand.
If you have carefully aligned your data, fitting E0 in a linear combination analysis should not be necessary.
Click the "Required" button to force all fits in a combinatorial sequence to include that standard.
Test the robustness of your linear combination analysis by adding artifical noise to the data.
Clicking the "kw" button in the plotting k-weights controls uses the value of arbitrary k-weight for the data set. This provides a way of making a marked groups plot with different k-weights for different data groups.
If you import chi(k) data into Athena, you might want to set the element and edge by hand. Some features of Athena need to know that.
"Flattened" data means that the difference in slope and curvature between the pre- and post-edge lines are subtracted from the normalized data after E0. This makes the fine structure oscillate about y=1 in a plot.
Right click on the purple "E" button to plot I0 for all marked groups.
Read the fine manual! Choosing Document from the Help menu will open the Athena Users' Guide in a web browser.
Athena's citation is B. Ravel and M. Newville, J. Synchrotron Rad. (2005). 12, 537-541 (DOI: 10.1107/S0909049505012719)
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