1,330
edits
(New page: A stereographic projection is often used to visualize a self-rotatation function. As explained in the [http://www.ccp4.ac.uk/html/polarrfn.html polarrfn documentation] the self-rotatation...) |
mNo edit summary |
||
(One intermediate revision by the same user not shown) | |||
Line 6: | Line 6: | ||
Note: in the above, "theta" denotes the angle that is called "omega" in the [http://www.ccp4.ac.uk/html/polarrfn.html polarrfn documentation] | Note: in the above, "theta" denotes the angle that is called "omega" in the [http://www.ccp4.ac.uk/html/polarrfn.html polarrfn documentation] | ||
With POLARRFN, you can plot monoclinic space groups with the unique b axis along the orthogonal Z axis (NCODE = 3) and then the symmetry is *much* easier to interpret. Also POLARRFN allows you to plot all the kappa sections not just 4 selected ones. This can be important if the NCS 2-fold is not exact, i.e. you may see the peaks slightly displaced off the kappa=180 or other point-group sections (60, 90, 120). Note you may need high resolution data (say 2 Ang or better) for this and also sharpening using ECALC so that the peaks are resolved. | |||
Example: see http://www.ccp4.ac.uk/dist/ccp4i/help/modules/appendices/mr-bathtutorial/mrbath5.html |