cosio_heidi

Fit result

Overall status	Success
time	0.033 s
iterations	4
reduced χ²	0.50
wR(F²)	6.15 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	cosio_300k	atom_site	Co2	fract_x		0.276617	0.27656	0.00010
2	cosio_300k	atom_site	Co2	fract_z		0.991371	0.99133	0.00019
3	cosio_300k	atom_site	Si	fract_x		0.0948546	0.09488	0.00006
4	cosio_300k	atom_site	Si	fract_z		0.428107	0.42815	0.00010
5	cosio_300k	atom_site	O1	fract_x		0.0921055	0.09206	0.00005
6	cosio_300k	atom_site	O1	fract_z		0.767044	0.76709	0.00008
7	cosio_300k	atom_site	O2	fract_x		0.448703	0.44869	0.00004
8	cosio_300k	atom_site	O2	fract_z		0.215422	0.21555	0.00009	0.1% ↑
9	cosio_300k	atom_site	O3	fract_x		0.164197	0.16419	0.00003
10	cosio_300k	atom_site	O3	fract_y		0.0336884	0.03360	0.00005	0.3% ↓
11	cosio_300k	atom_site	O3	fract_z		0.281782	0.28170	0.00006
12	cosio_300k	atom_site_aniso	Co1	adp_11	Å²	0.00585091	0.0067	0.0003	14.5% ↑
13	cosio_300k	atom_site_aniso	Co1	adp_22	Å²	0.00351479	0.0041	0.0003	17.2% ↑
14	cosio_300k	atom_site_aniso	Co1	adp_33	Å²	0.00364817	0.00410	0.00019	12.4% ↑
15	cosio_300k	atom_site_aniso	Co1	adp_12	Å²	-0.00107167	-9×10⁻⁴	2×10⁻⁴	16.3% ↑
16	cosio_300k	atom_site_aniso	Co1	adp_13	Å²	-3.15×10⁻⁵	8×10⁻⁵	18×10⁻⁵	359.2% ↑
17	cosio_300k	atom_site_aniso	Co1	adp_23	Å²	-5.43×10⁻⁴	-5.1×10⁻⁴	1.9×10⁻⁴	5.6% ↑
18	cosio_300k	atom_site_aniso	Co2	adp_11	Å²	0.00349343	0.0045	0.0003	27.9% ↑
19	cosio_300k	atom_site_aniso	Co2	adp_22	Å²	0.0047272	0.0054	0.0003	14.0% ↑
20	cosio_300k	atom_site_aniso	Co2	adp_33	Å²	0.00482665	0.0052	0.0003	8.6% ↑
21	cosio_300k	atom_site_aniso	Co2	adp_13	Å²	3.95×10⁻⁴	3×10⁻⁴	2×10⁻⁴	25.8% ↓
22	cosio_300k	atom_site_aniso	Si	adp_11	Å²	0.00316825	0.00386	0.00015	21.9% ↑
23	cosio_300k	atom_site_aniso	Si	adp_22	Å²	0.00338993	0.00396	0.00014	16.9% ↑
24	cosio_300k	atom_site_aniso	Si	adp_33	Å²	0.00229154	0.00279	0.00012	21.5% ↑
25	cosio_300k	atom_site_aniso	Si	adp_13	Å²	1.87×10⁻⁴	1.8×10⁻⁴	1.1×10⁻⁴	1.9% ↓
26	cosio_300k	atom_site_aniso	O1	adp_11	Å²	0.00569649	0.00638	0.00012	12.1% ↑
27	cosio_300k	atom_site_aniso	O1	adp_22	Å²	0.00523364	0.00586	0.00011	11.9% ↑
28	cosio_300k	atom_site_aniso	O1	adp_33	Å²	0.00253729	0.00307	0.00009	21.1% ↑
29	cosio_300k	atom_site_aniso	O1	adp_13	Å²	-5.58×10⁻⁵	4×10⁻⁵	8×10⁻⁵	168.9% ↑
30	cosio_300k	atom_site_aniso	O2	adp_11	Å²	0.00347647	0.00413	0.00011	18.8% ↑
31	cosio_300k	atom_site_aniso	O2	adp_22	Å²	0.00574864	0.00642	0.00011	11.7% ↑
32	cosio_300k	atom_site_aniso	O2	adp_33	Å²	0.00456044	0.00494	0.00010	8.4% ↑
33	cosio_300k	atom_site_aniso	O2	adp_13	Å²	6.58×10⁻⁵	2×10⁻⁵	9×10⁻⁵	62.1% ↓
34	cosio_300k	atom_site_aniso	O3	adp_11	Å²	0.0064191	0.00714	0.00009	11.2% ↑
35	cosio_300k	atom_site_aniso	O3	adp_22	Å²	0.00469771	0.00536	0.00008	14.2% ↑
36	cosio_300k	atom_site_aniso	O3	adp_33	Å²	0.00475085	0.00520	0.00007	9.5% ↑
37	cosio_300k	atom_site_aniso	O3	adp_12	Å²	0.00187742	0.00190	0.00007	1.1% ↑
38	cosio_300k	atom_site_aniso	O3	adp_13	Å²	2.49×10⁻⁴	2.4×10⁻⁴	0.7×10⁻⁴	3.9% ↓
39	cosio_300k	atom_site_aniso	O3	adp_23	Å²	-3.77×10⁻⁴	-3.6×10⁻⁴	0.6×10⁻⁴	5.5% ↑
40	heidi_300k	linked_structure	cosio_300k	scale		16.9455	18.74	0.09	10.6% ↑
41	heidi_300k	extinction		coefficient_11		0	0.117	0.014
42	heidi_300k	extinction		coefficient_22		0	0.283	0.016
43	heidi_300k	extinction		coefficient_33		0	1.16	0.08
44	heidi_300k	extinction		coefficient_12		0	-0.08	0.04
45	heidi_300k	extinction		coefficient_13		0	-0.10	0.06
46	heidi_300k	extinction		coefficient_23		0	0.14	0.12

startthe value before the fit
valuethe fitted value
s.u.its standard uncertainty
changehow far the fit moved it, in % of the start: ↑ up, ↓ down