Can only be used in combination: calc volume or calc beam.
Three indices h k l belonging to a specific spot should be specified. This spot should be at the top of the border of a main ellips. The program calculates the top positions of all the selected ellipses, and uses the ellips that has the top position closest to the spot h k l. By indexing the corresponding ellips u v w, and calculating the distance from the spot h k l to the reciprocal lattice plane u v w, you can either estimate the volume using or , or estimate or using the volume. In order to select the right h k l you can make use of the keywords show tmax and dmin or show tmax and lmin which display the top positions of all the selected ellipses as red circles and all the high resolution spots or all the minimum wavelength spots as green circles.
format calc volume h k l default none example calc volume 12 -9 6
Calculates a new direct beam position using a number of specified conics. Up to 100 conics may be used, either selected by calc beam i to j, or by calc beam i j k , where i, j, and k are the numbers in the list of conics found by NODIRAX. The program calculates an algabraic equation for each conic and determines the intersection. A minimum number of 3 conics is required.
format calc beam integer to integer or a list of integers default none examples calc beam 1 to 10 calc beam 1 2 4 5 6 8 9 10 11 13