cosio_d20

Fit result

Overall status	Success
time	0.025 s
iterations	3
reduced χ²	4.57
Rwp	4.02 %
Rwp, d20	4.02 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	cosio	cell		length_a	Å	10.3087	10.3088	0.0003
2	cosio	cell		length_b	Å	6.00384	6.00380	0.00016
3	cosio	cell		length_c	Å	4.78665	4.78667	0.00012
4	cosio	atom_site	Co1	adp_iso	Å²	0.5	0.28	0.09	44.8% ↓
5	cosio	atom_site	Co2	fract_x		0.280417	0.2793	0.0007	0.4% ↓
6	cosio	atom_site	Co2	fract_z		0.984166	0.9847	0.0015	0.1% ↑
7	cosio	atom_site	Si	fract_x		0.0938939	0.0938	0.0004	0.1% ↓
8	cosio	atom_site	Si	fract_z		0.429308	0.4290	0.0009	0.1% ↓
9	cosio	atom_site	Si	adp_iso	Å²	0.38776	0.35	0.07	10.8% ↓
10	cosio	atom_site	O1	fract_x		0.0913088	0.0911	0.0003	0.3% ↓
11	cosio	atom_site	O1	fract_z		0.771459	0.7714	0.0007
12	cosio	atom_site	O1	adp_iso	Å²	0.595873	0.65	0.06	8.5% ↑
13	cosio	atom_site	O2	fract_x		0.44823	0.4482	0.0003
14	cosio	atom_site	O2	fract_z		0.216347	0.2166	0.0007	0.1% ↑
15	cosio	atom_site	O2	adp_iso	Å²	0.555207	0.58	0.06	4.2% ↑
16	cosio	atom_site	O3	fract_x		0.163738	0.1635	0.0003	0.1% ↓
17	cosio	atom_site	O3	fract_y		0.0318779	0.0317	0.0004	0.7% ↓
18	cosio	atom_site	O3	fract_z		0.28004	0.2800	0.0005
19	cosio	atom_site	O3	adp_iso	Å²	0.817831	0.83	0.05	2.1% ↑
20	d20	peak		broad_gauss_u	deg²	0.242154	0.242	0.007
21	d20	peak		broad_gauss_v	deg²	-0.527329	-0.528	0.015	0.2% ↓
22	d20	peak		broad_gauss_w	deg²	0.382853	0.384	0.010	0.2% ↑
23	d20	peak		broad_lorentz_y	deg	0.0159219	0.016	0.005	1.2% ↑
24	d20	instrument		calib_twotheta_offset	deg	0.285815	0.286	0.002	0.1% ↑
25	d20	linked_structure	cosio	scale		1.19053	1.195	0.011	0.4% ↑
26	d20	background	1	intensity		609.315	609	15
27	d20	background	2	intensity		581.182	581	10
28	d20	background	3	intensity		563.371	563	10
29	d20	background	4	intensity		540.695	541	9
30	d20	background	5	intensity		520.199	520	7
31	d20	background	6	intensity		507.632	508	4
32	d20	background	7	intensity		463.41	463	4
33	d20	background	8	intensity		434.752	434	3	0.1% ↓
34	d20	background	9	intensity		450.882	451	3
35	d20	background	10	intensity		430.425	430	3
36	d20	background	11	intensity		413.927	414	3
37	d20	background	12	intensity		360.009	361	3	0.4% ↑
38	d20	background	13	intensity		290.702	291	2
39	d20	background	14	intensity		240.304	239	4	0.7% ↓

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