#include <redchi.h>
NOTE: requires C++ clipper API
Data Fields | |
| gdouble | cell [6] |
| crystallographic info | |
| gsl_matrix * | c_t_f |
| matrices to convert cartesian <-> frac coord | |
| gsl_matrix * | g_ij |
| metric tensors for real and reciprocal lattice bases | |
| gchar * | sg |
| space group info | |
| GPtrArray * | sym_mat |
| pointer to GSL matrices | |
| gint | bins |
| data handling info | |
| gint | cvflag |
| cross validation flag | |
| gdouble | solvent_mean_ueq |
| scaling/fit parameters | |
| gboolean | checked |
| have we read in the data associated with this dataset? | |
| GSList * | files |
| list of files to read in | |
| clipper::Spacegroup | clipsg |
| spacegroup | |
| clipper::Cell | clipcell |
| cell | |
| clipper::Resolution | clipres |
| resolution | |
| clipper::Resolution_ordinal | clipresord |
| resolution ordinal | |
| clipper::HKL_info | cliphkls |
| HKLs. | |
| GPtrArray * | hkls |
| HKL data (see hkl_struct). | |
| GHashTable * | model_restraints |
| model restraint library (see model_restraint_struct) | |
| GSList * | refine_params |
| refine settings (see refine_struct) | |
| GSList * | constraint_params |
| constraint settings (see constraint_struct) | |
| GHashTable * | selections |
| selections (hash of strings) | |
| struct model_struct * | next |
| pointer to next model structure (as of yet unused) | |
1.5.6