Provided by: dioptas_0.6.1-2_amd64 bug

NAME

       dioptas - Dioptas Documentation

1 INTRODUCTION

       Dioptas  is  a  GUI  program  for  fast  integration  and exploration of 2D X-ray diffraction Images.  It
       provides the capability of calibrating, integrating, creating masks, showing  multiple  pattern  overlays
       and  display  phases line positions.  The basis of the integration and calibration algorithm is the pyFAI
       library.  The usage of pyFAI allows integration times on the order of 80 milliseconds and calibration  of
       every possible detector geometry.

       Dioptas  has  three different modules which can all be accessed by the tab indicators on the left side of
       the user interface: Calibration, Mask, Integration.

       The Calibration module enables you to calibrate the detector geometry.  Within the Mask  module  you  can
       select  regions you want to exclude from the image integration and the Integration module is the heart of
       Dioptas, where you will spend most time for data exploration.  It shows both, the  image  and  integrated
       pattern, and one can overlay different pattern and show line position of phases.
         [image] Location of module selectors..UNINDENT

   1.1   Mouse Interaction in the Image and Pattern Widgets
       The  basis  for  data  exploration  in are the image and pattern widgets available in all 3 modules.  The
       interaction with these widgets is tried to be as intuitive as possible, without extra need  of  different
       selection modes.  All widgets support to following mouse commands:

       •

         Left Click:
                Action  depends on the module you are in.  In the calibration view it will search for peaks.  In
                the Mask view it is the primary tool for creating the geometric objects used  to  build  up  the
                mask and in the integration view it draws a line at the current two theta value.

       •

         Left Drag:
                Zooms  into  the selected area.  It will try to scale images accordingly, but will not perfectly
                zoom in to the selected area, because pixels are kept as square objects on the screen.

       •

         Right Click (Command+Right Click on Mac):
                Zoom out.

       •

         Right Double Click (Command + Right Double Click on Mac):
                Completely zoom out.

       •

         Mouse Wheel:
                Zoom in and zoom out based on the current cursor position.

   1.2   Image Color Scale and Contrast
       Every image widget has a color bar and a histogram either on the side  of  the  image  (Mask  module  and
       Calibration  Module)  or  on  the  top  (integration module).  The colors of the color bars can be easily
       adjusted.  You can switch to a completely different color-scale by right clicking the  color  bar.   This
       creates  a  pop-up  where  one  of  the  predefined  color  scales  can be selected.  The position of the
       individual colors can be adjusted by dragging the triangle of this color.   Further  the  colors  can  be
       changed  completely  by  double clicking (left) it, which will pop up a color chooser.  It is in addition
       also possible to add a complete new color by double clicking (left) next to the color bar.  The histogram
       next to the color bar shows the intensity distribution of the loaded image on a log scale.   The  sliders
       two  lines  define the scaling of the image in the image view.  Please feel free to adjust their position
       by dragging them.

2 CALIBRATION PROCEDURE

       Make sure you are in the calibration mode, which should be selected on the left side of the window.

   2.1   Preparation
       Load the calibration image by clicking the "Load file" button on the upper right side of the window.  Now
       you can insert the starting values for the calibration  in  the  menu  on  the  right.   The  calibration
       procedure  will  estimate  distance  and center position of the x-ray, as well as detector rotation.  For
       this procedure the wavelength and pixel width/height have to be defined based on the  experimental  setup
       and  detector used.  Please choose the correct calibrant from the Calibrant drop-down list.  In case your
       calibrant is not available, your own calibrant can be added in the dioptas/calibrants folder  as  a  text
       file  containing  a  list  of d-spacings, Dioptas will automatically have this calibrant available in the
       combobox after a restart.  Different detector orientations can be accommodated by  rotation  or  flipping
       the  image.   These  image  transformations  will  be  applied  to  all  subsequent  loaded images in the
       calibration module and in the integration module.
         [image] Start values for calibration.UNINDENT

   2.2   Peak Picking
       In order for Dioptas to find the correct geometry it needs an initial guess for the position of  some  of
       the  rings.   This  is done by selecting several peaks on each diffraction ring.  The parameters for peak
       selection are given in the "Peak Selection" section on the right site of  the  calibration  module,  when
       "Calibration Parameters" is selected.
         [image] Peak Selection Options.UNINDENT

         By  default  automatic  peak  search  is selected, which tries to automatically find peaks on a clicked
         ring.  To search on the first ring please click on it with the left mouse button.  In case it  is  very
         difficult  to  "hit" the ring with the mouse you can just zoom in by using the drag-zoom or mouse-wheel
         zoom.  If the peak search was successful it should look like this:
         [image] LaB6  2D diffraction image with the first ring selected..UNINDENT

         If the automatic peak searching  fails  (when  Dioptas  fails  to  select  other  peaks  on  the  first
         diffraction ring) there are several available options:

       • perform the automatic peak search on a different ring.

         • change the "Current Ring Number"

         • and select the a peak on this ring

       •

         choose "single peak search", which will search the highest intensity peak around the click position,
         whereby the
                size of the search area is defined byt the search size

         • then search one peak for one diffraction ring (the current peak number will automatically increase)

         • or  deselect  the  automatic increase checkbox and click several spots on the first ring, or any ring
           you like (with the corresponding peak number selected)

   2.3   The Calibration and Refinement Process
       After the peaks/ring(s) have been selected we can start the  calibration  procedure.   This  is  done  by
       clicking  the  "Calibrate"  Button on the lower left of the interface.  This will calculate the geometric
       parameters based on the current peak selection and then automatically refine the calibration parameters.

       After refinement Dioptas will automatically create a 360 degree cake image  and  an  integrated  pattern.
       When  the procedure is finished it will jump to the "Cake" tab (top tab-bar above the image) and show the
       cake image.  In this image you can easily check if the calibration was successful  (by  checking  if  the
       cake  lines  are  straight).  Additionally, the pattern is plotted with calculated calibrant positions in
       the "Pattern" Tab.  All peak maxima should coincide with phase line positions.  The resulting calibration
       parameters are shown by clicking the pyFAI parameters or Fit2d  Parameters  tabs  in  the  right  control
       panel.   The  current  calibration parameters can be saved by clicking the Save Calibration button on the
       lower right of the user interface.  To fast reuse the a calibration, the calibration can be  reloaded  by
       clicking Load Calibration.

       If  the  calibration  failed, either the start values are wrong, the initial peak selection was faulty or
       the refinement parameters need to be adjusted.  For a new peak selection, just click  "clear  all  peaks"
       and  start  the the peak selection again, make sure that current peak number belongs to the corresponding
       clicked ring.  The meaning of each of the refinement options are explained in the next section.

   2.3.1   Refinement Options
       The refinement options  are  defined  on  the  right  control  panel  of  the  Calibration  module,  when
       "Calibration Parameters" is selected.
         [image] Available options for calibration refinement.UNINDENT

         There are several options available:

       •

         automatic refinement:
                Defines  if  Dioptas should search for peaks by itself after using the initially selected peaks.
                When this option is deselected only the selected peaks are used  for  calculating  the  detector
                calibration.

       •

         use mask/transparent:
                The  refinement  can be constraint to a certain image area by using a mask previously defined in
                the mask module.  The image of the mask can be made transparent to be able to "look behind"

       •

         Peaksearch algorithm:
                The algorithm used for searching peaks on the ring.  The standard algorithm is "Massif" although
                "Blob" detection may give better results in some cases.

       •

         Delta 2th:
                This is the +- search range used for automatic peak search for  each  ring.   The  center  value
                depends  on  the  values,  estimated  by the calibration procedure, so ultimately by the initial
                choice of predefined peaks (Peak selection)

       •

         Intensity Min factor:
                This factor determines how many times the peak intensity has to be higher than the mean value of
                the search area (within the delta 2th value) for each individual ring.  The lower this value  is
                the  more  peaks  will  be  selected, however, also the likelihood of selecting wrong background
                peaks increase.  The default value is 3, which is good for  rather  spotty  patterns.   If  your
                calibration image has perfect diffraction rings, this value needs to be reduced to about 1-1.5.

       •

         Intensity Max:
                A  threshold  value which excludes all peaks above this value.  The default value is 55000 which
                is good for 16 bit detectors.  In case a detector with more levels is used this value  needs  to
                be adjusted.

       •

         Number of rings:
                The  number  of rings on which peaks are searched.  This should be chosen based on the number of
                visible rings in the calibration image.  For an optimal calibration all visible rings should  be
                used.

       If  the  calibration/refinement  fails  you can in principle play with all parameters.  However, the most
       common adjustments are the number of rings and the Intensity Min factor.

3 MASK CREATION

       In the mask module areas can be defined which will be excluded from integration  or  calibration.   There
       are  several geometries available to select different kind of areas.  Additionally it is possible to mask
       based on threshold values and perform automatic cosmic removal.  All tools are  available  on  the  right
       control  panel  in  the Mask view.  It can be either chosen to mask a certain region or unmask it (select
       either on the top of the control panel).
         [image] The Mask module of Dioptas..UNINDENT

   3.1   Selection Tools
       To select a specific geometry just click on it and an orange border will show which one is  active  right
       now.  All geometric shapes are created by using left clicks:

       •

         Circle:
                The first click defines the center of the circle and the second the radius of the circle.

       •

         Rectangle:
                The first click defines one corner and the second the corner on the opposite side.

       •

         Point: A click will mask an area as large as the circle floating around the mouse pointer.  The size of
                the circle can be changed by changing the value next the the Point button or using just pressing
                the q and w keys.

       •

         Polygon:
                Subsequent  clicks will define edges of the polygon.  A double click will close the polygon (and
                add the position of the double click as last point to the polygon)

       •

         Arc:   The first 3 clicks define a circle section and the 4th click defines the thickness of the arc.

   3.2   Threshold Masking and Cosmic Removal
       In order to do threshold masking, please insert the wanted number next to the desired Thresh  button  and
       click the button.

       Cosmic  removal  is  an automatic optimization procedure trying to mask cosmic rays from the image.  This
       procedure can take considerable amount of time, please be patient.

   3.3   Control ButtonsGrow:  Grows the current mask by one pixel in all directions.

       •

         Shrink:
                Shrinks the current mask by one pixel in all directions.

       •

         Invert:
                This will invert the mask so that unmasked areas become masked and vice versa.

       •

         Clear: This will remove the complete mask.

       •

         Undo/Redo:
                Enabling to undo the last action or redo them.  You can undo up to 50 actions.

   3.4   File HandlingSave Mask:
                Saves the current mask as a tiff file with intensities being  1  for  masked  areas  and  0  for
                unmasked areas.

       •

         Load Mask:
                Loads a previously saved mask.  Clears the current mask before.

       •

         Add Mask:
                Loads a previously saved mask and adds it to the current mask.

4 INTEGRATION MODULE

       The  integration module is the heart of Dioptas.  Here you can automatically integrate multiple images to
       pattern, browse between images and integrated pattern, compare multiple pattern to  each  other,  perform
       background subtraction and compare pattern peak positions and intensities to the ones of known phases.
         [image] The integration module of Dioptas..UNINDENT

         In  the  integration module the current image is displayed on the left side with the integrated pattern
         shown on the lower right.  The control panel has several tabs for different functions.

         The "Img" and "Pattern" tabs are primarily for loading and browsing images and  pattern,  respectively.
         In  the "Overlay" tab integrated pattern can be loaded for comparing them to the currently loaded shown
         active pattern.  The "Phase" tab enables opening/editing jcpds files and changing the equation of state
         parameters of the loaded phases.  The "Cor" tab gives options  for  performing  intensity  corrections.
         Here  the  absorption  of a c-BN seat and diamond in a diamond anvil cell, or the detector scintillator
         can be corrected prior to integration.  The controls in the "Bkg" tab can be used to define an image as
         background prior to integration and doing automatic background subtraction of the  integrated  pattern.
         The  "X"  (special)  tab  contains several additional optional features like cBN absorption correction,
         manual selection of the number of integrating bins.

   4.1   File Handling
       Images and pattern can be loaded by clicking the Load button in the respective modules.  Images can be in
       different file formats: .img, .sfrm, .dm3, .edf, .xml, .cbf, .kccd, .msk, .spr,  .tif,  .mccd,  .mar3450,
       .pnm,  or  any other common image formats.  Pattern files should be 2 column files.  If there is a header
       present it should be commented by '#' signs.

       Images loaded will be automatically integrated if a calibration is available (either by performing it  in
       the  calibration  window  or by loading a previously saved calibration file (* *.poni*) file).  There are
       too modes for file browsing (clicking the "<" and ">" buttons):

       By Name:
              the next and previous filenames will be searched based on the last digits in  the  filename.   For
              example the next file from test_002.tif will be test_003.tif and the previous will be test_001.tif

       By Time:
              The  next  and  previous  files  loaded  will be search based on creation time of the files.  This
              filemode does not need any numbers in the filenames it will just sort the files based on  creation
              time and go forward and backwards in this list.

       In  case  you  want  to browse through files in larger steps the "step" value can be adjusted.  Any newly
       added file to the current img working directory can be opened automatically by checking  the  autoprocess
       checkbox in the Image module.

       By  default the integrated pattern is not saved.  To automatically save the integrated patterns choose an
       output folder in the Pattern tab by clicking the "..." button and then  check  the  autocreate  checkbox.
       All  new  integrated patterns will then be automatically saved in this folder with name being the same as
       the image but different file extension.  The integrated pattern can be automatically saved in 4 different
       formats by checking their respective boxes in the lower right of the Pattern tab:

       •

         .xy:   (Selected by default) A  two  column  format  with  a  header  which  contains  the  calibration
                parameters, polarization correction and integration unit (2th, Q or d)

       •

         .chi:  A two column format with a 5 line header containing the filename, integration unit and number of
                points.  Based on Fit2d output format.

       •

         .dat:  A two column format without any header.  It saved just the plain data.

       •

         .fxye: A  three column format used by GSAS and GSAS-II.  The third column is the error of the intensity
                which is usually defined as square root of the integrated intensity.

       In addition to file browsing and the "load" button, files can also be loaded by inserting their name  and
       folder  in the respective text fields.  The upper one is the filename and the lower one is the containing
       folder.  If the file does not exist it the text field will revert to its previous state.

   4.2   Overlays
         [image] Overlay controls in the integration window..UNINDENT

         In the overlay control panel you can add, delete or clear overlays and adjust their scaling and offset.

       •

         Add:   Loads a pattern file (2-column file) as overlay.  It is possible to select multiple pattern  and
                load them all at once.

       •

         Delete:
                Deletes the currently selected overlay in the overlay list.

       •

         Clear: Deletes all currently loaded overlays.

       The  list of overlays shows several widgets representing the state of each individual overlay.  The first
       checkbox controls if the overlay is visible in the graph.  The colored button shows  the  overlay  color.
       Clicking  on  it will pop-up a color-chooser dialog where the color for this overlay can be changed.  The
       name of an overlay is by default its filename, but it can be modified by double-clicking the name in  the
       overlay list.

       On  the  right  side  you  can  adjust the scale and offset of the overlays by either entering a specific
       number or using the spin-box controls.  The step text fields control the steps of the spin-box.

   4.2.1   Set as Background
       An overlay can be used as a background for the integrated pattern.  In  order  to  to  so,  you  have  to
       activate  the  "Set as Background" button.  This button sets the currently selected overlay as background
       for the pattern file.  It can be seen that an overlay is set as  background  by  the  Set  as  Background
       button being activated for a specific overlay and by the background overlay name being shown in the lower
       right  of  the  graphical  user  interface  (right  below  the  graph).   The  scaling  and offset of the
       overlay/background can still be adjusted by using the respective  spin  boxes.   The  background  overlay
       remains  active  until  it is deactivated, therefore the background will be automatically subtracted from
       each newly integrated image or newly loaded pattern.  If autosave for pattern is set, Dioptas will create
       a bkg_subtracted folder in the autosave folder and automatically save all subtracted patterns.

   4.2.2   Waterfall
       The Waterfall button will automatically adjust the offset of all loaded overlays to  a  multiple  of  the
       text box to the right of it.  This creates a waterfall plot of all overlays.  The Reset button resets all
       overlay offset to zero.

   4.3   Phases
         [image] Phase controls in the integration window..UNINDENT

         The basic controls for phases are similar to the ones in overlay:

       •

         Add:   Loads a *.jcpds or *.cif file, calculates the line positions in the range of the current pattern
                and  shows  the phase lines in the graph.  Cif-files will be internally converted into the jcpds
                format.  For doing so, a small window will pop-up asking which intensity should be  the  minimum
                intensity  for  each  reflection  (Intensity  Cutoff)  and  up  to  which  minimum d-spacing the
                reflections should be included (Minimum d-spacing).  You can select multiple  *.jcpds  or  *.cif
                files in the file dialog to load multiple phases.

       •

         Edit:  Opens  a  dialog  where  the jcpds file can be edited.  For further details see the JCPDS editor
                section

       •

         Delete:
                Deletes the currently selected phase in the phase list.

       •

         Clear: Deletes all phases.

       •

         Save List:
                Saves a list of phases (basically a text file with the path to all phases loaded) which  can  be
                later restored.

       •

         Load List:
                Loads a list of phases which was previously saved by the Save List function.

       The  list  of  phases shows several widgets representing the state of each individual phase overlay.  The
       first checkbox controls if the phase lines are visible in the graph.  The colored button shows the  color
       of the phase lines.  Clicking on it will pop-up a color-chooser dialog where the color for this phase can
       be  changed.   The name of an phase is by default its filename, but can be changed by double-clicking the
       name in the phase list.  Additionally the pressure and temperature for each phase is shown in  the  phase
       list.  If for a particular phase thermal expansion is not in the jcpds file it will always display '- K'.

       On  the  right  side the pressure and temperatures of the loaded phases can be adjusted.  If Apply to all
       phases is checked the pressure and temperature will be  set  for  all  loaded  phases.   By  default  the
       pressure  and temperature values will be displayed in the phase legend in the pattern if they differ from
       ambient conditions.  For disabling this feature please uncheck the Show in Pattern checkbox.

   4.3.1   JCPDS Editor
         [image] Graphical JCPDS editor..UNINDENT

         In the JCPDS Editor the parameters of the jcps phase can be modified.  Every change will be immediately
         reflected in the position of the lines in the pattern.  You can edit the comment, the symmetry, lattice
         parameter and equation of state parameters.  Reflections can be edited in the reflections table.  h, k,
         l and intensities can be modified by double clicking in the table all other parameters  are  calculated
         correspondingly.  A "0" after a parameter name always means that this is the value at ambient condition
         and  when  there  is  no  "0"  the value corresponds to the current temperature and pressure conditions
         modified in the Phase tab.  The changes can be saved as a new file by clicking the Save As button.   If
         you  want  to revert all changes and reload the original files please press the Reload File button.  If
         you like the changes you made you can close the JCPDS editor either by clicking the X button or the  OK
         button  on  the lower right.  The Cancel button will close the JCPDS editor and revert the changes made
         since the last opening of the JCPDS editor.

   4.4   Corrections
         [image] Correction controls in the integration window..UNINDENT

         In the Cor tab it is possible  to  enable  intensity  corrections  for  cBN  seats,  diamonds  and  the
         scintillator thickness of the detector.

   4.4.1   cBN Seat Correction
       Enabling  this  option  calculates  the  theoretical transmitted intensity through a diamond and cBN seat
       based on the parameters entered into the text boxes.  Where:

       •

         Anvil d:
                anvil thickness in mm.

       •

         Seat d:
                seat thickness in mm

       •

         Inner Seat r:
                radius of the small opening of the cBN seat (close to the diamond) in mm

       •

         Outer Seat r:
                radius of the outer opening of the cBN seat in mm

       •

         Cell Tilt:
                tilting of the cell in respect to the primary beam in degrees.

       •

         Tilt Rot:
                direction of the Cell tilt in degrees.

       •

         Offset:
                offset of the sample position from the center of the diamond - seat assemblage in mm

       •

         Offs. Rot:
                defines the rotation of the center offset

       •

         Anvil AL:
                Absorption length of the anvil in \mu m

       •

         Seat AL:
                Absorption length of the seat in \mu m

       To see the calculated transmitted intensity distribution press the  Plot  button.   This  will  show  the
       calculated absorption correction in the image view.

   4.4.2   Oblique Incidence Angle Detector Absorption Correction
       Enabling this option will correct the intensity response of the detector for large angles.  The intensity
       is proportional to the path length of the diffracted x-ray beam through the scintillator of the detector.
       This  causes  higher  intensities  at  larger  angles  between  the diffracted beam and the normal of the
       detector plane due to larger path lengths.  The correction assumes that the source of  the  intensity  is
       coming  from  the  calibrated  sample  position.   This  correction  is  not valid if there is additional
       contribution from air or other background.  The background contribution needs to be either removed  first
       or the correction needs to be applied to the sample and the background signal before subtraction.

       Parameters:

       •

         Det. Thickness:
                Thickness of the detector scintillator in mm

       •

         Abs. Length:
                Absorption length of the detector scintillator in \mu m

       To  see  the  calculated  intensity  correction  press  the  Plot  button.  This will show the calculated
       absorption correction in the image view.

   4.5   Background subtraction
         [image] Background controls in the integration window..UNINDENT

         In the Bkg tab an image can be loaded as background image or we can automatically subtract an estimated
         background from the integrated pattern.

   4.5.1   Image Background
       This image will be subtracted from the original image prior to the integration process.  The intensity of
       the image can scaled or offset by using the corresponding spin boxes.  The text fields next to  the  spin
       boxes  define  the  individual steps for the spinbox.  After each change, loading an image as background,
       removing it, or change the scale and offset of the background image,  the  image  will  be  automatically
       reintegrated.

       •

         Load:  Loads an image as background image.

       •

         Remove:
                Removes  the  currently  loaded  background  image.   The original image will then be integrated
                without any background subtraction.

       •

         Scale and Offset:
                The intensity of the background image is scaled by: scale x img_intensity + offset.

   4.5.2   Pattern Background
       Activating this, will automatically try to estimate the background in  the  integrated  pattern  using  a
       moving  average  method.  The  background  will  then  be created by fitting the resulting pattern with a
       polynomial.

       •

         Smooth Width:
                Defines the width of the moving window. The unit is based on the selection in the  pattern  plot
                (2\theta, Q or d).

       •

         Iterations:
                Number of times the moving averages filter goes through the pattern.

       •

         Poly Order:
                The order of the polynomial which is fitted after the moving average filter.

       •

         X-Range:
                Defines the minimum and maximum x-value of the pattern used for background subtraction.  CAUTION
                the subtracted pattern will only be displayed in this range.

       •

         Inspect:
                This button enables the inspection mode in the pattern widget (see Fig. %s).  Enabling this mode
                shows the original pattern and the subtracted pattern (red dashed line).  This is very useful to
                tweak  the background subtraction parameters to the specific needs of the pattern.  Furthermore,
                the x-range can be adjusted visually by dragging the ROI (solid yellow lines).
         [image] Inspect-Mode in the pattern widget for background subtraction..UNINDENT

         Enabling the pattern background subtraction and also the inspect mode can also be easily done by  using
         the  quick  actions in the pattern widget (see Fig. %s).  The "bg" button on the right side will enable
         the background subtraction and clicking the "I" button will enable the inspection mode.

   4.6   Special (X-Tab)
         [image] Special Options..UNINDENT

         The currently available features:

   4.6.1   Integration
       Here you can manually specify the number of integration bins and/or  choose  to  supersample  the  image.
       Supersampling  an  image  by  a  factor of n>1 results in of splitting of each pixel into n^2 pixels with
       equal distribution of intensities among the splitted pixels.  For perfect powder samples this can  result
       in  smaller  integrated  peak  widths  and  more points per peak if the physical pixel width is too high.
       However, it may result in unreasonable intensity distributions.  Please use at your own risk.

   4.7   Quick Actions
       The "Image" widget and the "Pattern" widget exhibit several quick actions.  Some of them can  be  context
       sensitive (e.g. if there is an image background loaded).

   4.7.1   Image Quick Actions
         [image] Quick actions in the image widget..UNINDENT

         The image quick actions are shown in the lower left of the image widget in the integration view.

       •

         ROI:   Enables a Rectangular region of interest (ROI) on the image, which can be dragged and changed in
                size by dragging the corners. Only the image part in the ROI will be integrated.

       •

         Cake:  The  image  will  now  always automatically shown as Cake (2d-integrated image), which basically
                shows the change in intensity with azimuth.

       •

         Image: This will change back to only display the original image and not the cake.

       •

         Mask:  Activates the mask for integration.  The mask needs to be defined before in the Mask-module.

       •

         trans: This checkbox will define whether the mask is displayed with transparent or solid color.

       •

         bg:    If checked the widget will show the background subtracted image. (a background has to be  loaded
                to enable this button).

       •

         AutoScale:
                Defines  whether  a  the intensity range displayed in the image widget will be rescaled for each
                new loaded image.

       •

         Undock/Dock:
                This button will undock the image widget from the Dioptas window into a  new  window.   This  is
                especially  useful for multi-monitor setups, where the image can be displayed on one monitor and
                the integrated pattern on another.

   4.7.2   Pattern Quick Actions
       The pattern widget exhibits several buttons on the top and also on the right (see Fig. %s)

       •

         on the top:

                •

                  Save Image:
                         Saves the currently shown image as either a *.png file for presentation or *.tiff  file
                         as data.

                •

                  Save Pattern:
                         Saves  the current pattern either in a two-column format (*.xy) or the complete pattern
                         content in a *.png or vectorized *.svg format.

                •

                  As Overlay:
                         Adds the currently active pattern (white) to overlays.

                •

                  As Bkg:
                         Adds the currently active pattern (white) to overlays and sets it as background.

                •

                  Load Calibration:
                         Opens a dialog to open a *.poni calibration file and sets this as the  new  calibration
                         parameters.

       •

         on the right:

                •

                  2\theta, Q or d:
                         selects the unit in which the image should be integrated to a pattern.

                •

                  bg, I: enable background subtraction and the background inspection mode.

                •

                  AA:    determines  whether  anti-aliasing  is  enabled  for  the  pattern widget. Disabling AA
                         improves performance when many overlays are shown in the pattern widget.

                •

                  A:     when enabled, a newly integrated or loaded pattern will be  shown  otherwise  the  zoom
                         will  stay  as  is.   This  will  be enabled on every double right click in the pattern
                         widget.

5 CONFIGURATIONS AND PROJECTS

   5.1   Configurations
         [image] Location of configuration controls..UNINDENT

         Configuration are used to handle experimental setups with multiple detectors in one Dioptas instance. A
         configuration contains the calibration information, loaded image, image corrections,  mask,  integrated
         pattern  and  background  corrections.  Overlays  and  phases are not handled in configurations and are
         global. By default the configuration control panel (Fig. %s) is hidden and only  one  configuration  is
         active (single Detector mode).  To enable the panel, please click the C button on the upper left corner
         of Dioptas. In principle, Dioptas can handle infinite configurations, however, this also means a lot of
         RAM usage.

         A  configuration  can  be  added  or  removed  by  the + and - buttons. Each added will be subsequently
         numbered and can be selected by the buttons to the  left  of  the  -  button.  After  adding  a  a  new
         configuration  the configuration will be empty and needs to be newly calibrated for the wanted detector
         geometry.

         The File and Folder controls in the middle of the configuration panel enable combined file browsing for
         all configurations, whereas the Pos textfield defines the position of the  number  in  the  string.  By
         using the "<" and ">" buttons the next or previous image in each configuration will be loaded.

         This  is  also  true for the similar Folder "<" and ">" buttons.  Here Dioptas supposes that the actual
         filenames stay the same, but the images are saved in subsequently indexed folders, like e.g.  "run101",
         "run102".   The  MEC  checkbox enables a special mode for the matters at extreme conditions beamline at
         LCLS where both, the folder and the filenames have the run number included.

         The Factor Input is an intensity scaling factor for the image in the configuration, so  that  different
         configurations can be compared where the detector response is not equal.

       Combine Patterns:Attempts to combine integrated patterns from all configurations, when selected.
              If there is overlap between the different configurations, the intensity will be averaged.

       Combine Cakes: Attempts to combine integrated cakes from all configurations, when selected.
              If  there is overlap between the different configurations (which is in principle not possible in a
              multi detector setup), the intensity will be averaged.

   5.2   Dioptas Projects
         [image] Location of the project controls.UNINDENT

         The state of Dioptas including the  different  configurations  with  image,  mask,  image  corrections,
         background  corrections  overlays  and phases can be open and saved in projects. This is very useful in
         case you want to continue working on a project another day. The controls for this are in the upper left
         of the Dioptas window (see Fig. %s).  The  Dioptas  project  files  have  a  *.dio  extension  and  are
         basically  HDF5  under  the hood. Thus, can the data can be also opened or edited with any HDF5 viewer.
         [image]

         Opens a file browser where you can select a Dioptas project (*.dio) to open.  [image]

         Saves the current state of Dioptas into a Dioptas project (*.dio).  [image]

         Resets the current state of Dioptas. This means  all  phases,  overlays,  and  configurations  will  be
         deleted and you can start from a new fresh Dioptas.

AUTHOR

       Clemens Prescher

COPYRIGHT

       Dioptas - GUI program for fast processing of 2D X-ray diffraction data Principal author: Clemens Prescher
       (clemens.prescher@gmail.com)  Copyright  (C)  2014-2019 GSECARS, University of Chicago, USA Copyright (C)
       2015-2018 Institute for Geology and Mineralogy, University of Cologne, Germany Copyright (C)  2019  DESY,
       Hamburg, Germany

0.4.0                                             Jul 01, 2025                                        DIOPTAS(1)