: A dedicated editor for creating and modifying the .pcr input files, which contain the refinement instructions.
A .pcr file is divided into 12–14 lines of header (instrument, pattern, background) plus profile and structural blocks. fullprof
| Error | Likely cause | Fix | |-------|--------------|-----| | ZER not converging | Wrong zero shift initial | Manually shift pattern in WinPLOTR | | Too many parameters | Refining too many atoms early | Fix Biso, coordinates first | | Negative Biso | Poor background or wrong occupancy | Fix background, set Biso to 0.5 | | Rwp > 20% | Wrong phase, space group, or peaks mis-indexed | Check space group, add second phase | : A dedicated editor for creating and modifying the
Researchers typically use FullProf to: