Nonius logo KappaCCD User Manual 
 Revision 1.10, Last Update 1-July-1998
Manual Refinement Card

This card is used for refining the initial cell and selecting the right integration area and mosaicity.
In the first stage you want to know how well predictions and observations are matching.

After pressing Refine the image display will show spot predictions on the image. You can check the correctness of the predicted positions by turning prediction display on and off using the display's Update Predictions button. You can also open a Zoom Window from the main display window.

More information about the correctness of the predictions can be found in the Refinement window. Here chi-squared values are displayed and the number of reflections that is refined upon. While going to the various stages of refinement the Chi-squared values should decrease whereas the number of reflections being used should increase.

There are three other items you have to decide up on before starting final  data processing:
Background size, Spot size and Mosaicity
 
 

Determining the size of the Background box 
  • Open the Zoom window and click Integration Box
  • Use a smaller boxsize when many integration areas of other reflections are coinciding with the background box.
  • Press Refine in the Manual Refinement card to apply the changes.
Background box
Determining spot size 
  • Open the Zoom window and click Integration Box
  • Click another time Integration Box to suppress the square background box
  • Zoom in on a reasonable strong spot near the equator plane (i.e. avoid spots that are close to the rotation axis)
  • Press down the right mouse button over the side of the selected spot to display an integrated profile in either the horizontal or vertical direction.
  • Select a new spot size in the Manual Refinement card and click the Refine button to update the display.
 
Integration box
Determining mosaicity 
 
  • Click the adjust Mosaicity button. This will bring up the mosaicity window. It will use the starting value from the input box for mosaicity.
  • The red bar indicates the value for the current mosaicity. Click on the histogram bars to move the red bar.
  • Move the bar position to the 5 percent level of the histogram.
  • Press the Adjust Mosaicity Button until the red indicator bar arrives between the 0.10 and 0.15 value of the vertical range, then click the OK button.
 
It is better to slightly overestimate the mosaicity to ensure that spot profiles can be integrated completely.
Click the pictures for more details about estimation of mosaicity 
Underestimated Overestimated
 
 


 When you have pressed the OK button in the mosaicity window, the system will procede to the "Integrate" card automatically

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