Provided by: dioptas_0.5.2-4_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