Section 25.2.1.13.3. Binary or formatted file conversions

For efficiency, structure-factor files used within the package are binary; however, the program RD31 is provided to read these binary files and convert them to formatted files that can be examined and possibly edited by the user. The indices, amplitudes, phases, figures of merit, phase probability distribution coefficients, and markers indicating which reflections are centric along with the allowed phase values are thus made readily accessible. A corresponding program, MK31B, is also provided to reverse the process; it reads the formatted (and possibly edited) versions of the structure-factor files and generates the appropriate binary-file equivalents. Additionally, the program XPL_PHI is supplied to convert the binary structure-factor files to a form readable by the X-PLOR program (Brünger et al., 1987) in order to facilitate complete model refinement. Phase and figure-of-merit information are also passed to the output file, allowing refinement with phase restraints if desired.