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

Fit result

Overall status	Success
time	0.16 s
iterations	5
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	0.5	1.715	0.009	243.1% ↑
2	expt_n2	peak		broad_gauss_sigma_0	µs²	280.676	910	60	225.8% ↑
3	expt_n2	peak		broad_gauss_sigma_1	µs²/Å²	1.86×10³	1.250×10³	0.060×10³	33.0% ↓
4	expt_n2	peak		broad_gauss_sigma_2	µs²/Å⁴	202.81	325	12	60.4% ↑
5	expt_n2	peak		broad_lorentz_gamma_0	µs	5.86292	5.0	0.3	15.1% ↓
6	expt_n2	instrument		calib_d_to_tof_offset	µs	-2.14976	-2.09	0.13	2.9% ↑
7	expt_n2	background	1	intensity		-0.0223856	-0.018	0.006	17.5% ↑
8	expt_n2	background	2	intensity		0.126647	0.19	0.07	47.4% ↑
9	expt_n2	background	3	intensity		0.0881415	0.21	0.08	134.6% ↑
10	expt_n2	background	4	intensity		0.178851	0.20	0.04	14.0% ↑
11	expt_n2	background	5	intensity		0.182673	0.21	0.03	17.5% ↑
12	expt_n2	background	6	intensity		0.0464482	0.26	0.04	449.0% ↑
13	expt_n2	background	7	intensity		0.147358	0.181	0.017	22.8% ↑
14	expt_n2	background	8	intensity		0.205621	0.225	0.015	9.5% ↑
15	expt_n2	background	9	intensity		0.191466	0.205	0.011	7.1% ↑
16	expt_n2	background	10	intensity		0.206983	0.199	0.012	3.7% ↓
17	expt_n2	background	11	intensity		0.155233	0.25	0.03	59.5% ↑
18	expt_n2	background	12	intensity		0.197252	0.241	0.015	21.9% ↑
19	expt_n2	background	13	intensity		0.248195	0.283	0.014	13.9% ↑
20	expt_n2	background	14	intensity		0.288224	0.304	0.015	5.6% ↑
21	expt_n2	background	15	intensity		0.317577	0.338	0.018	6.5% ↑
22	expt_n2	background	16	intensity		0.274939	0.278	0.012	1.2% ↑
23	expt_n2	background	17	intensity		0.239456	0.255	0.011	6.5% ↑
24	expt_n2	background	18	intensity		0.233093	0.237	0.008	1.7% ↑
25	expt_n2	background	19	intensity		0.221234	0.224	0.007	1.3% ↑
26	expt_n2	background	20	intensity		0.173893	0.176	0.005	1.4% ↑
27	expt_n2	background	21	intensity		0.235917	0.235	0.005	0.5% ↓
28	expt_n2	background	22	intensity		0.423699	0.427	0.017	0.8% ↑
29	expt_n2	background	23	intensity		0.444668	0.446	0.018	0.4% ↑
30	expt_n2	background	24	intensity		0.346853	0.347	0.010	0.1% ↑
31	expt_n2	background	25	intensity		0.531082	0.532	0.012	0.2% ↑
32	expt_n2	background	26	intensity		0.961451	0.95	0.03	1.6% ↓
33	expt_n2	background	27	intensity		1.19453	1.16	0.04	2.6% ↓
34	expt_n2	background	28	intensity		1.08859	1.06	0.04	2.6% ↓
35	expt_n2	background	29	intensity		0.996849	0.98	0.03	2.0% ↓
36	expt_n2	background	30	intensity		0.647012	0.648	0.013	0.2% ↑
37	expt_s2	peak		broad_gauss_sigma_0	µs²	276.131	890	60	223.3% ↑
38	expt_s2	peak		broad_gauss_sigma_1	µs²/Å²	1.88×10³	1.290×10³	0.060×10³	31.5% ↓
39	expt_s2	peak		broad_gauss_sigma_2	µs²/Å⁴	191.823	311	12	62.3% ↑
40	expt_s2	peak		broad_lorentz_gamma_0	µs	5.90568	5.0	0.3	15.6% ↓
41	expt_s2	instrument		calib_d_to_tof_offset	µs	-9.72133	-10.29	0.13	5.8% ↓
42	expt_s2	linked_structure	ferrite	scale		303.117	402.4	1.0	32.7% ↑
43	expt_s2	linked_structure	austenite	scale		74.5748	96.0	0.2	28.7% ↑
44	expt_s2	background	1	intensity		-0.00441248	0.02	0.06	488.2% ↑
45	expt_s2	background	2	intensity		0.110765	0.15	0.06	35.3% ↑
46	expt_s2	background	3	intensity		0.0709678	0.18	0.07	160.5% ↑
47	expt_s2	background	4	intensity		0.181457	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		0.0284935	0.22	0.03	654.9% ↑
50	expt_s2	background	7	intensity		0.154213	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		0.206139	0.198	0.012	3.7% ↓
54	expt_s2	background	11	intensity		0.135493	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		0.258715	0.293	0.014	13.3% ↑
57	expt_s2	background	14	intensity		0.292693	0.309	0.015	5.4% ↑
58	expt_s2	background	15	intensity		0.303893	0.326	0.018	7.4% ↑
59	expt_s2	background	16	intensity		0.294781	0.299	0.013	1.3% ↑
60	expt_s2	background	17	intensity		0.241914	0.259	0.011	6.9% ↑
61	expt_s2	background	18	intensity		0.228668	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		0.167057	0.169	0.005	1.4% ↑
64	expt_s2	background	21	intensity		0.241623	0.240	0.005	0.5% ↓
65	expt_s2	background	22	intensity		0.431988	0.435	0.017	0.7% ↑
66	expt_s2	background	23	intensity		0.435411	0.439	0.018	0.8% ↑
67	expt_s2	background	24	intensity		0.343188	0.343	0.010	0.1% ↑
68	expt_s2	background	25	intensity		0.535297	0.536	0.012	0.2% ↑
69	expt_s2	background	26	intensity		0.971232	0.96	0.03	1.5% ↓
70	expt_s2	background	27	intensity		1.19972	1.17	0.05	2.5% ↓
71	expt_s2	background	28	intensity		1.15238	1.12	0.04	2.6% ↓
72	expt_s2	background	29	intensity		0.947014	0.93	0.03	1.7% ↓
73	expt_s2	background	30	intensity		0.654013	0.655	0.013	0.2% ↑

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