X-GEN Manual, Section 5 | CENTROIDS (3-D spots output) | File Formats |
The CENTROIDS file ( Not all 11 profile elements will be present in the file: only nobk
of them will be occupied. So a file with N reflections in it, in which the
average value of nobk is 5, will be (20+5*4)*N= 40 * N bytes long.
The centroid for each spot is calculated over a series of contiguous
images beginning at image (obkmin) and extending over (nobk) images.
The total intensity, as calculated in "spots", will not be corrected
for Lorentz and polarization; by contrast, the intensity as calculated
in integrate and
reduce -c, will be Lp-corrected. The elements
of the (obparts) array will have values between 0 and 1 unless the observed
intensity is negative, in which case the corresponding element of obparts
will be slightly negative.
Report bugs to Andy Howard at
howard@iit.edu or 312-567-5881.
#define TROIDWIDTH 11 /* # of profile elements in a TROID */
typedef struct { /* # of bytes:*/
float xto,yto,frame0; /* (X,Y,omega) centroid of spot */
short obkmin,nobk; /* 1st frame# , # of frames */
float totinten; /* total intensity */
float obparts[TROIDWIDTH]; /* normalized profile elements */
} TROID; /* total: 68 bytes */
Usage:
$WORK/ Written from:
spots or
a combination of integrate
and reduce -c.
Edited in:
filterc and
editcen
Read in:
"refine1", "refall", "refine"