Ferrite [Im-3m] / Austenite [Fm-3m]

Fit result

Overall status	Success
time	0.15 s
iterations	2
stopped by	χ² change (4.16e-07)
last largest shift/s.u.	0.036
reduced χ²	6.89
Rwp	7.13 %
Rwp, expt_n2	7.06 %
Rwp, expt_s2	7.20 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	ferrite	atom_site	Fe	adp_iso	Å²	0.500	1.715	0.009	243.1%
2	expt_n2	peak		broad_gauss_sigma_0	µs²	280.51	910	60	226.0%
3	expt_n2	peak		broad_gauss_sigma_1	µs²/Å²	1.86×10³	1.25×10³	0.06×10³	33.0%
4	expt_n2	peak		broad_gauss_sigma_2	µs²/Å⁴	202.77	325	12	60.4%
5	expt_n2	peak		broad_lorentz_gamma_0	µs	5.8627	5.0	0.3	15.1%
6	expt_n2	instrument		calib_d_to_tof_offset	µs	-2.14973	-2.09	0.13	2.9%
7	expt_n2	background	1	intensity		-0.022385	-0.018	0.006	17.5%
8	expt_n2	background	2	intensity		0.12665	0.19	0.07	47.3%
9	expt_n2	background	3	intensity		0.088157	0.21	0.08	134.6%
10	expt_n2	background	4	intensity		0.17885	0.20	0.04	14.0%
11	expt_n2	background	5	intensity		0.18268	0.21	0.03	17.5%
12	expt_n2	background	6	intensity		0.046463	0.26	0.04	448.9%
13	expt_n2	background	7	intensity		0.14736	0.181	0.017	22.8%
14	expt_n2	background	8	intensity		0.20562	0.225	0.015	9.5%
15	expt_n2	background	9	intensity		0.19147	0.205	0.011	7.1%
16	expt_n2	background	10	intensity		0.20698	0.199	0.012	3.7%
17	expt_n2	background	11	intensity		0.15524	0.25	0.03	59.5%
18	expt_n2	background	12	intensity		0.19725	0.241	0.015	21.9%
19	expt_n2	background	13	intensity		0.2482	0.283	0.014	13.9%
20	expt_n2	background	14	intensity		0.28823	0.304	0.015	5.6%
21	expt_n2	background	15	intensity		0.31758	0.338	0.018	6.5%
22	expt_n2	background	16	intensity		0.27494	0.278	0.012	1.2%
23	expt_n2	background	17	intensity		0.23946	0.255	0.011	6.5%
24	expt_n2	background	18	intensity		0.23309	0.237	0.008	1.7%
25	expt_n2	background	19	intensity		0.22123	0.224	0.007	1.3%
26	expt_n2	background	20	intensity		0.17389	0.176	0.005	1.4%
27	expt_n2	background	21	intensity		0.23592	0.235	0.005	0.5%
28	expt_n2	background	22	intensity		0.4237	0.427	0.017	0.8%
29	expt_n2	background	23	intensity		0.44467	0.446	0.018	0.4%
30	expt_n2	background	24	intensity		0.34685	0.347	0.010	0.1%
31	expt_n2	background	25	intensity		0.53108	0.532	0.012	0.2%
32	expt_n2	background	26	intensity		0.96146	0.95	0.03	1.6%
33	expt_n2	background	27	intensity		1.1945	1.16	0.04	2.6%
34	expt_n2	background	28	intensity		1.0886	1.06	0.04	2.6%
35	expt_n2	background	29	intensity		0.99686	0.98	0.03	2.0%
36	expt_n2	background	30	intensity		0.64701	0.648	0.013	0.2%
37	expt_s2	peak		broad_gauss_sigma_0	µs²	275.95	890	60	223.5%
38	expt_s2	peak		broad_gauss_sigma_1	µs²/Å²	1.88×10³	1.29×10³	0.06×10³	31.6%
39	expt_s2	peak		broad_gauss_sigma_2	µs²/Å⁴	191.78	311	12	62.4%
40	expt_s2	peak		broad_lorentz_gamma_0	µs	5.9054	5.0	0.3	15.6%
41	expt_s2	instrument		calib_d_to_tof_offset	µs	-9.72139	-10.29	0.13	5.8%
42	expt_s2	linked_structure	ferrite	scale		303.12	402.4	1.0	32.7%
43	expt_s2	linked_structure	austenite	scale		74.575	96.0	0.2	28.7%
44	expt_s2	background	1	intensity		-0.0044104	0.02	0.06	488.4%
45	expt_s2	background	2	intensity		0.11077	0.15	0.06	35.3%
46	expt_s2	background	3	intensity		0.07098	0.18	0.07	160.5%
47	expt_s2	background	4	intensity		0.18146	0.20	0.04	9.2%
48	expt_s2	background	5	intensity		0.15343	0.19	0.03	24.2%
49	expt_s2	background	6	intensity		0.028508	0.22	0.03	654.5%
50	expt_s2	background	7	intensity		0.15422	0.189	0.017	22.7%
51	expt_s2	background	8	intensity		0.19886	0.220	0.014	10.7%
52	expt_s2	background	9	intensity		0.18561	0.200	0.011	7.6%
53	expt_s2	background	10	intensity		0.20614	0.198	0.012	3.7%
54	expt_s2	background	11	intensity		0.1355	0.23	0.03	68.1%
55	expt_s2	background	12	intensity		0.20091	0.245	0.015	21.7%
56	expt_s2	background	13	intensity		0.25872	0.293	0.014	13.3%
57	expt_s2	background	14	intensity		0.29269	0.309	0.015	5.4%
58	expt_s2	background	15	intensity		0.3039	0.326	0.018	7.4%
59	expt_s2	background	16	intensity		0.29478	0.299	0.013	1.3%
60	expt_s2	background	17	intensity		0.24192	0.259	0.011	6.9%
61	expt_s2	background	18	intensity		0.22867	0.233	0.008	1.9%
62	expt_s2	background	19	intensity		0.2136	0.216	0.007	1.3%
63	expt_s2	background	20	intensity		0.16706	0.169	0.005	1.4%
64	expt_s2	background	21	intensity		0.24162	0.240	0.005	0.5%
65	expt_s2	background	22	intensity		0.43199	0.435	0.017	0.7%
66	expt_s2	background	23	intensity		0.43541	0.439	0.018	0.8%
67	expt_s2	background	24	intensity		0.34319	0.343	0.010	0.1%
68	expt_s2	background	25	intensity		0.5353	0.536	0.012	0.2%
69	expt_s2	background	26	intensity		0.97124	0.96	0.03	1.5%
70	expt_s2	background	27	intensity		1.1997	1.17	0.05	2.5%
71	expt_s2	background	28	intensity		1.1524	1.12	0.04	2.6%
72	expt_s2	background	29	intensity		0.94702	0.93	0.03	1.7%
73	expt_s2	background	30	intensity		0.65401	0.655	0.013	0.2%

startthe value before the fit
valuethe fitted value, where the least-squares fit ends: the weighted sum of squared residuals is smallest
s.u.its standard uncertainty, the square root of its diagonal element of the fit's covariance matrix
changehow far the fit moved it, in % of the start: up, down
s.u.in red: a poorly determined or strongly correlated parameter; its title says why