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Data output

Steca provides three kinds of output:

  • Output/Pole figures…
  • Output/Diagrams…
  • Output/Diffractograms…

Each option opens a dialog box that works on datasets and reflections from the main window. It is possible to open several copies each dialog; this feature allows the user to compare results of the same type of output data, generated with different parameters.

The dialogs have a similar layout: in the top part are controls to set various parameters. In the bottom part is a working area with multiple tabs.

Computed output data are first presented numerically in a table:

output_pol_table.jpg

On the right side of the table is a list of data items. The checked items are displayed as columns in the table. There are presets to show all, none, or selected set of columns. The table columns can be reordered by dragging their headers.

Table rows are dynamically sorted in the left-to-right column order (sorting is based on all columns, including those not displayed). One column can take precedence in sorting — click the header.

Data are also presented graphically:

output_pol_graph.jpg.

The tab 'Save' is for saving output data to files, in a format mostly identical to files produced by the original STeCa.

Pole figures

In the top part of the dialog select:

  • the reflection,
  • gamma step for gamma slicing,
  • optionally the gamma range limit,
  • alpha and beta steps for pole figure interpolation,
  • max. alpha radius (shown as green circle on the graph) for pole points averaging,
  • averaging radius,
  • inverse-distance weighting radius, and
  • pole points inclusion threshold.

The radio buttons calc./interp. switch the display between the calculated and interpolated pole points.

Click 'Calculate'. Steca will calculate and interpolate pole points, and display the results. To interpolate points from computed points only, click 'Interpolate'.

The 'Graph' tab shows a rudimental pole figure image. 'flat' shows only the location of the points, without their intensity. '30/60/90°' (alpha maximum) zooms in and out the display.

To save calculated pole figure data, use the 'Save' tab. Select the target folder and file name and type of output, click Save. The specified file name is used as a template for the several output files.

The output types are intensity, peak position and fwhm. For each two files are saved: the .lst (list file) and .pol (polefigure file). The list file contains two columns for the alpha, beta angles and depending on which output type was selected ether intensity, peak position and fwhm as the third column. The pole figure file contains only intensity, peak position or fwhm. The data written to the files will be ether the calculated point or the interpolated depending on which was selected above.

For RAW peak functions only intensity is written out. Additionally for RAW peak functions an error mask is written containing for each intensity value from the pole figure file a one for positiv intensity values and a zero for negativ intensity values.

Diagrams

Choose:

  • the reflection,
  • gamma step and range, and
  • type of data to show on the x and y axis.

If intensity, 2θ, or fwhm is selected as the y value, the fitting error (standard deviation) is also shown.

Diffractograms

Saves the computed diffractograms as pairs of x/y (2θ/intensity) values to a file or a series of files.

Tiff images

In future release steca will be able to output tiff images.


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