Na₂Ca₃Al₂F₁₄ [I2₁3]

Fit result

Overall status	Success
time	2.7 s
iterations	6
reduced χ²	15.74
Rwp	9.91 %
Rwp, wish_1_10	6.08 %
Rwp, wish_2_9	8.53 %
Rwp, wish_3_8	10.15 %
Rwp, wish_4_7	10.32 %
Rwp, wish_5_6	10.66 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	wish_1_10	instrument		calib_d_to_tof_offset	µs	14.4654	14	5
2	wish_1_10	instrument		calib_d_to_tof_linear	µs/Å	4.99×10³	4.9851×10³	0.0012×10³
3	wish_1_10	linked_structure	ncaf	scale		30.3599	30.4	0.4
4	wish_1_10	background	2	intensity		107.754	110	90
5	wish_1_10	background	3	intensity		160.728	160	60
6	wish_1_10	background	4	intensity		120.057	120	60
7	wish_1_10	background	5	intensity		322.295	320	70
8	wish_1_10	background	6	intensity		259.449	260	50
9	wish_1_10	background	7	intensity		233.582	230	50
10	wish_1_10	background	8	intensity		228.838	230	40
11	wish_1_10	background	9	intensity		238.865	240	30
12	wish_1_10	background	10	intensity		230.313	230	30
13	wish_1_10	background	11	intensity		254.988	255	17
14	wish_1_10	background	12	intensity		245.954	246	15
15	wish_1_10	background	13	intensity		223.529	224	12
16	wish_1_10	background	14	intensity		258.014	258	10
17	wish_1_10	background	15	intensity		247.251	247	7
18	wish_1_10	background	16	intensity		227.16	227	6
19	wish_1_10	background	17	intensity		236.786	237	5
20	wish_1_10	background	18	intensity		226.688	227	4
21	wish_1_10	background	19	intensity		223.411	223	4
22	wish_1_10	background	20	intensity		219.847	220	4
23	wish_1_10	background	21	intensity		223.569	224	3
24	wish_1_10	background	22	intensity		216.609	217	3
25	wish_1_10	background	23	intensity		216.81	217	4
26	wish_1_10	background	24	intensity		213.497	213	4
27	wish_1_10	background	25	intensity		216.209	216	4
28	wish_1_10	background	26	intensity		212.992	213	5
29	wish_1_10	background	27	intensity		212.387	212	6
30	wish_1_10	background	28	intensity		212.595	213	6
31	wish_1_10	background	29	intensity		211.309	211	7
32	wish_1_10	background	30	intensity		210.982	211	9
33	wish_1_10	background	31	intensity		222.941	223	12
34	wish_1_10	background	32	intensity		210.33	210	15
35	wish_1_10	background	33	intensity		222.218	220	30
36	wish_1_10	background	34	intensity		254.907	250	40
37	wish_1_10	background	35	intensity		119.61	120	50
38	wish_2_9	peak		rise_alpha_0		0.0575669	0.054	0.005	6.6% ↓
39	wish_2_9	peak		rise_alpha_1		-0.0186051	-0.017	0.006	10.7% ↑
40	wish_2_9	peak		decay_beta_0		0.00537146	0.00545	0.00007	1.4% ↑
41	wish_2_9	peak		decay_beta_1		0.0798397	0.075	0.003	6.7% ↓
42	wish_2_9	peak		broad_gauss_sigma_1	µs²/Å²	51.6184	40	14	21.8% ↓
43	wish_2_9	peak		broad_gauss_sigma_2	µs²/Å⁴	25.6379	25.7	1.1	0.1% ↑
44	wish_2_9	peak		broad_lorentz_gamma_1	µs/Å	1.0905	1.4	0.7	24.1% ↑
45	wish_2_9	instrument		calib_d_to_tof_offset	µs	19.4893	18.5	1.5	5.2% ↓
46	wish_2_9	instrument		calib_d_to_tof_linear	µs/Å	1.04×10⁴	1.03884×10⁴	0.00007×10⁴
47	wish_2_9	linked_structure	ncaf	scale		33.5329	36.3	0.4	8.2% ↑
48	wish_2_9	absorption		abscor1	Å⁻¹	0	0.0144	0.0019
49	wish_2_9	background	1	intensity		96.1076	80	60	21.4% ↓
50	wish_2_9	background	2	intensity		205.092	190	50	6.9% ↓
51	wish_2_9	background	3	intensity		277.924	250	40	8.3% ↓
52	wish_2_9	background	4	intensity		359.05	347	19	3.3% ↓
53	wish_2_9	background	5	intensity		315.336	301	14	4.4% ↓
54	wish_2_9	background	6	intensity		321.93	313	12	2.7% ↓
55	wish_2_9	background	7	intensity		339.13	323	11	4.8% ↓
56	wish_2_9	background	8	intensity		391.598	384	8	2.0% ↓
57	wish_2_9	background	9	intensity		367.029	358	7	2.3% ↓
58	wish_2_9	background	10	intensity		268.588	266	4	1.1% ↓
59	wish_2_9	background	11	intensity		275.056	274	4	0.4% ↓
60	wish_2_9	background	12	intensity		260.831	260	3	0.2% ↓
61	wish_2_9	background	13	intensity		252.623	253	3
62	wish_2_9	background	14	intensity		241.854	242	3	0.2% ↑
63	wish_2_9	background	15	intensity		227.799	229	3	0.3% ↑
64	wish_2_9	background	16	intensity		217.511	218	3	0.4% ↑
65	wish_2_9	background	17	intensity		220.412	221	4	0.1% ↑
66	wish_2_9	background	18	intensity		221.385	223	5	0.9% ↑
67	wish_2_9	background	19	intensity		220.571	220	7	0.4% ↓
68	wish_2_9	background	20	intensity		219.323	220	10	0.2% ↑
69	wish_2_9	background	21	intensity		219.025	219	17	0.1% ↓
70	wish_2_9	background	22	intensity		164.089	160	40	0.1% ↑
71	wish_3_8	peak		rise_alpha_0		-0.0109334	-0.0110	0.0009	0.4% ↓
72	wish_3_8	peak		rise_alpha_1		0.118519	0.119	0.004	0.1% ↑
73	wish_3_8	peak		decay_beta_0		0.00631793	0.00631	0.00005	0.1% ↓
74	wish_3_8	peak		decay_beta_1		0.0204838	0.0206	0.0006	0.6% ↑
75	wish_3_8	peak		broad_gauss_sigma_1	µs²/Å²	55.4033	56	7	0.3% ↑
76	wish_3_8	peak		broad_gauss_sigma_2	µs²/Å⁴	18.4945	18.5	1.1	0.1% ↓
77	wish_3_8	instrument		calib_d_to_tof_offset	µs	-16.3077	-16.2	0.7	0.4% ↑
78	wish_3_8	instrument		calib_d_to_tof_linear	µs/Å	1.51×10⁴	1.51071×10⁴	0.00005×10⁴
79	wish_3_8	linked_structure	ncaf	scale		33.9851	33.8	0.3	0.4% ↓
80	wish_3_8	absorption		abscor1	Å⁻¹	0	-7×10⁻⁴	13×10⁻⁴
81	wish_3_8	background	1	intensity		319.317	320	50	0.2% ↑
82	wish_3_8	background	2	intensity		387.817	390	30	0.3% ↑
83	wish_3_8	background	3	intensity		364.612	365	19	0.2% ↑
84	wish_3_8	background	4	intensity		397.238	398	14	0.3% ↑
85	wish_3_8	background	5	intensity		360.311	361	9	0.2% ↑
86	wish_3_8	background	6	intensity		348.054	349	7	0.2% ↑
87	wish_3_8	background	7	intensity		322.342	323	6	0.2% ↑
88	wish_3_8	background	8	intensity		318.32	319	5	0.1% ↑
89	wish_3_8	background	9	intensity		307.48	308	5	0.1% ↑
90	wish_3_8	background	10	intensity		351.536	352	4
91	wish_3_8	background	11	intensity		318.406	318	4
92	wish_3_8	background	12	intensity		275.816	276	3
93	wish_3_8	background	13	intensity		258.517	258	3
94	wish_3_8	background	14	intensity		253.682	254	3
95	wish_3_8	background	15	intensity		234.929	235	3
96	wish_3_8	background	16	intensity		245.359	245	4
97	wish_3_8	background	17	intensity		237.503	237	4
98	wish_3_8	background	18	intensity		238.582	238	6	0.1% ↓
99	wish_3_8	background	19	intensity		242.307	242	8
100	wish_3_8	background	20	intensity		235.615	236	11
101	wish_3_8	background	21	intensity		233.802	234	18	0.1% ↓
102	wish_3_8	background	22	intensity		234.046	230	50	0.2% ↓
103	wish_4_7	peak		rise_alpha_0		-0.00952348	-0.0098	0.0011	2.8% ↓
104	wish_4_7	peak		rise_alpha_1		0.115474	0.117	0.004	1.0% ↑
105	wish_4_7	peak		decay_beta_0		0.00677959	0.00674	0.00004	0.6% ↓
106	wish_4_7	peak		decay_beta_1		0.00888304	0.0097	0.0003	9.0% ↑
107	wish_4_7	peak		broad_gauss_sigma_1	µs²/Å²	21.7041	23	6	5.1% ↑
108	wish_4_7	peak		broad_gauss_sigma_2	µs²/Å⁴	19.67	19.7	1.2	0.1% ↑
109	wish_4_7	instrument		calib_d_to_tof_offset	µs	-19.0015	-18.3	0.6	3.6% ↑
110	wish_4_7	instrument		calib_d_to_tof_linear	µs/Å	1.87×10⁴	1.86618×10⁴	0.00004×10⁴
111	wish_4_7	linked_structure	ncaf	scale		33.4058	31.9	0.3	4.6% ↓
112	wish_4_7	absorption		abscor1	Å⁻¹	0	-0.0072	0.0012
113	wish_4_7	background	1	intensity		369.925	380	50	1.4% ↑
114	wish_4_7	background	2	intensity		425.297	430	40	2.1% ↑
115	wish_4_7	background	3	intensity		401.936	410	30	1.5% ↑
116	wish_4_7	background	4	intensity		416.998	430	30	3.2% ↑
117	wish_4_7	background	5	intensity		452.877	462	18	1.9% ↑
118	wish_4_7	background	6	intensity		375.412	383	14	2.0% ↑
119	wish_4_7	background	7	intensity		394.675	405	12	2.5% ↑
120	wish_4_7	background	8	intensity		364.281	370	11	1.7% ↑
121	wish_4_7	background	9	intensity		396.531	413	11	4.0% ↑
122	wish_4_7	background	10	intensity		343.194	348	7	1.5% ↑
123	wish_4_7	background	11	intensity		384.671	390	6	1.3% ↑
124	wish_4_7	background	12	intensity		345.898	351	5	1.4% ↑
125	wish_4_7	background	13	intensity		329.779	334	5	1.4% ↑
126	wish_4_7	background	14	intensity		327.445	330	4	0.6% ↑
127	wish_4_7	background	15	intensity		281.355	283	4	0.7% ↑
128	wish_4_7	background	16	intensity		349.653	352	5	0.7% ↑
129	wish_4_7	background	17	intensity		317.411	318	4	0.1% ↑
130	wish_4_7	background	18	intensity		306.691	307	4
131	wish_4_7	background	19	intensity		252.468	252	3	0.2% ↓
132	wish_4_7	background	20	intensity		262.734	262	4	0.2% ↓
133	wish_4_7	background	21	intensity		246.267	246	4	0.3% ↓
134	wish_4_7	background	22	intensity		263.528	263	4	0.1% ↓
135	wish_4_7	background	23	intensity		250.407	249	4	0.5% ↓
136	wish_4_7	background	24	intensity		259.954	259	5	0.3% ↓
137	wish_4_7	background	25	intensity		260.217	260	6	0.1% ↓
138	wish_4_7	background	26	intensity		250.021	249	8	0.6% ↓
139	wish_4_7	background	27	intensity		254.124	252	14	1.0% ↓
140	wish_4_7	background	28	intensity		244.214	250	40	0.7% ↑
141	wish_5_6	peak		rise_alpha_0		-0.00746153	-0.0080	0.0010	6.6% ↓
142	wish_5_6	peak		rise_alpha_1		0.103704	0.105	0.003	1.3% ↑
143	wish_5_6	peak		decay_beta_0		0.00695555	0.00688	0.00004	1.1% ↓
144	wish_5_6	peak		decay_beta_1		0.00573023	0.00688	0.00019	20.1% ↑
145	wish_5_6	peak		broad_gauss_sigma_2	µs²/Å⁴	15.4139	15.4	0.8	0.1% ↑
146	wish_5_6	instrument		calib_d_to_tof_offset	µs	-16.7206	-15.7	0.5	6.3% ↑
147	wish_5_6	instrument		calib_d_to_tof_linear	µs/Å	2.08×10⁴	2.07741×10⁴	0.00004×10⁴
148	wish_5_6	linked_structure	ncaf	scale		33.5066	30.5	0.3	8.8% ↓
149	wish_5_6	absorption		abscor1	Å⁻¹	0	-0.0135	0.0012
150	wish_5_6	background	1	intensity		474.96	490	30	3.3% ↑
151	wish_5_6	background	2	intensity		412.346	430	30	3.4% ↑
152	wish_5_6	background	3	intensity		376.935	390	40	2.3% ↑
153	wish_5_6	background	4	intensity		435.208	455	19	4.6% ↑
154	wish_5_6	background	5	intensity		445.169	469	17	5.4% ↑
155	wish_5_6	background	6	intensity		427.565	444	14	3.8% ↑
156	wish_5_6	background	7	intensity		372.122	385	11	3.5% ↑
157	wish_5_6	background	8	intensity		394.091	416	10	5.5% ↑
158	wish_5_6	background	9	intensity		378.46	383	10	1.1% ↑
159	wish_5_6	background	10	intensity		371.156	401	12	8.2% ↑
160	wish_5_6	background	11	intensity		392.396	415	9	5.9% ↑
161	wish_5_6	background	12	intensity		337.672	346	6	2.6% ↑
162	wish_5_6	background	13	intensity		382.53	391	6	2.2% ↑
163	wish_5_6	background	14	intensity		345.159	353	5	2.3% ↑
164	wish_5_6	background	15	intensity		330.842	338	4	2.1% ↑
165	wish_5_6	background	16	intensity		319.797	323	4	0.9% ↑
166	wish_5_6	background	17	intensity		291.885	295	4	1.0% ↑
167	wish_5_6	background	18	intensity		325.672	326	4	0.1% ↑
168	wish_5_6	background	19	intensity		300.541	300	4	0.2% ↓
169	wish_5_6	background	20	intensity		267.71	266	4	0.6% ↓
170	wish_5_6	background	21	intensity		255.069	254	4	0.5% ↓
171	wish_5_6	background	22	intensity		264.447	263	4	0.4% ↓
172	wish_5_6	background	23	intensity		260.318	259	4	0.6% ↓
173	wish_5_6	background	24	intensity		261.76	262	5
174	wish_5_6	background	25	intensity		262.752	259	6	1.6% ↓
175	wish_5_6	background	26	intensity		269.749	269	6	0.3% ↓
176	wish_5_6	background	27	intensity		271.525	269	8	0.9% ↓
177	wish_5_6	background	28	intensity		259.46	261	15	0.8% ↑

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