X-GEN Manual, Section 5 CENTROIDS (3-D spots output) File Formats

The CENTROIDS file (.cen) is a binary file containing a set of records describing reflections in terms of their (X,Y,omega) centroids and their one-dimensional (omega) profiles. Each record is in the following format:

#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 */

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.

Usage: $WORK/<idname>.cen
Written from: spots or
a combination of integrate and reduce -c.
Edited in: filterc and editcen
Read in: "refine1", "refall", "refine"

Report bugs to Andy Howard at howard@iit.edu or 312-567-5881.