1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
|
/*
* post-refinement.h
*
* Post refinement
*
* (c) 2006-2010 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#ifndef POST_REFINEMENT_H
#define POST_REFINEMENT_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
#include <stdio.h>
#include "image.h"
/* Refineable parameters */
enum {
REF_SCALE,
REF_DIV,
REF_R,
REF_ASX,
REF_BSX,
REF_CSX,
REF_ASY,
REF_BSY,
REF_CSY,
REF_ASZ,
REF_BSZ,
REF_CSZ,
NUM_PARAMS
};
/* Apply the given shift to the 'k'th parameter of 'image'. */
void apply_shift(struct image *image, int k, double shift);
double mean_partial_dev(struct image *image, struct cpeak *spots, int n,
const char *sym, double *i_full, FILE *graph);
double pr_iterate(struct image *image, double *i_full, const char *sym,
struct cpeak **pspots, int *n);
#endif /* POST_REFINEMENT_H */
|