CeCoAl₃ [Pmma] · POLARIS @ ISIS

Fit result

Overall status	Success
time	0.52 s
iterations	3
reduced χ²	2.85
Rwp	2.08 %
Rwp, polaris	2.08 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	cecoal	cell		length_a	Å	7.65141	7.6513	0.0007
2	cecoal	cell		length_b	Å	4.05155	4.0515	0.0004
3	cecoal	cell		length_c	Å	6.90565	6.9056	0.0006
4	cecoal	atom_site	Ce	fract_z		0.382282	0.38225	0.00017
5	cecoal	atom_site	Ce	adp_iso	Å²	0.509678	0.49	0.02	3.7% ↓
6	cecoal	atom_site	Co	fract_z		0.815526	0.8156	0.0004
7	cecoal	atom_site	Co	adp_iso	Å²	0.388695	0.37	0.03	4.8% ↓
8	cecoal	atom_site	Al1	adp_iso	Å²	0.676595	0.66	0.03	3.0% ↓
9	cecoal	atom_site	Al2	fract_z		0.0431545	0.0431	0.0003	0.1% ↓
10	cecoal	atom_site	Al2	adp_iso	Å²	0.63752	0.62	0.03	3.2% ↓
11	cecoal	atom_site	Al3	fract_x		0.069618	0.06958	0.00014	0.1% ↓
12	cecoal	atom_site	Al3	fract_z		0.701726	0.70168	0.00017
13	cecoal	atom_site	Al3	occupancy		1	1.020	0.008	2.0% ↑
14	cecoal	atom_site	Al3	adp_iso	Å²	0.535779	0.58	0.03	7.3% ↑
15	polaris	peak		broad_gauss_sigma_1	µs²/Å²	46.0173	46	3	0.3% ↑
16	polaris	peak		broad_lorentz_gamma_1	µs/Å	4.3241	4.3	0.4	0.5% ↓
17	polaris	instrument		calib_d_to_tof_offset	µs	3.5771	3.6	0.4	1.4% ↑
18	polaris	instrument		calib_d_to_tof_quadratic	µs/Å²	-2.03273	-2.01	0.19	1.1% ↑
19	polaris	linked_structure	cecoal	scale		1.70×10⁴	1.6800×10⁴	0.0300×10⁴	1.4% ↓
20	polaris	absorption		abscor1	Å⁻¹	0.01762	0.017	0.003	1.3% ↓
21	polaris	background	1	coef		2.68×10⁴	2.6760×10⁴	0.0150×10⁴
22	polaris	background	2	coef		4.58×10³	4.600×10³	0.300×10³	0.2% ↓
23	polaris	background	3	coef		2.91×10³	2.900×10³	0.300×10³	0.2% ↓
24	polaris	background	4	coef		-210.451	-200	300	3.0% ↑
25	polaris	background	5	coef		585.449	600	300	1.2% ↑
26	polaris	background	6	coef		417.678	400	300	0.3% ↓
27	polaris	background	7	coef		456.017	400	300	2.0% ↓
28	polaris	background	8	coef		250.72	200	200	2.5% ↓
29	polaris	background	9	coef		391.135	390	180	0.4% ↓
30	polaris	background	10	coef		666.41	650	150	1.9% ↓
31	polaris	background	11	coef		529.457	510	100	4.2% ↓
32	polaris	background	12	coef		161.14	150	50	8.6% ↓

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