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* finally decide on the correct Bravais lattice and point group by comparing R-factors (in particular R_meas), and, from there, come up with possible space groups by looking at the table of systematic absences along the h,0,0 0,k,0 and 0,0,l axes of the diffraction pattern. | * finally decide on the correct Bravais lattice and point group by comparing R-factors (in particular R_meas), and, from there, come up with possible space groups by looking at the table of systematic absences along the h,0,0 0,k,0 and 0,0,l axes of the diffraction pattern. | ||
Be aware of the possibility of [http://www.ccp4.ac.uk/dist/html/twinning.html twinning], and of the different, but equivalent ways to index a given diffraction pattern ([http://www.ccp4.ac.uk/dist/html/reindexing.html reindexing]! | Be aware of the possibility of [http://www.ccp4.ac.uk/dist/html/twinning.html twinning], and of the different, but equivalent ways to index a given diffraction pattern ([http://www.ccp4.ac.uk/dist/html/reindexing.html reindexing])! | ||