A.20. 30 sfls (D) Structure Factor Least Squares Data

Packet Size - Variable

IDN	Description
1	data set number
11	refinement process description (40 chars)
12	SFLS weighting scheme description (40 chars)
13	SFLS extinction process description (40 chars)
14	SFLS matrix description (40 chars)
15	SFLS treatment of hydrogen atoms (40 chars)
16	SFLS treatment of absolute structure (40 chars)
17	SFLS extinction equation (40 chars)
21	R-value based on F diff for all data
22	R-value based on F diff for rcode1 data only
25	wR-value based on weighted Y diff for all data
26	wR-value based on weighted Y diff for rcode1 data
27	SFLS goodness of fit parameter for all data
28	SFLS goodness of fit parameter for rcode1 data
29	max SFLS shift/error
30	mean SFLS shift/error
31	Roger's abs. configuration measure NU
32	Flack's abs. configuration measure x
33	refined extinction parameter g or
34	sigma g or
35	sigma for Roger's abs. configuration measure NU
36	sigma for Flack's abs. configuration measure x
41	structure factor coefficient refined (F=1; F2=2; I=3)
42	number of SFLS parameters refined
43	number of SFLS reflections contributed to the matrix
44	number of SFLS restraints applied
45	number of SFLS constraints applied