LATP [R-3c] / AlPO₄ [C222₁] / AlPO₄ [P6₃mc]

Fit result

Overall status	Success
time	0.45 s
iterations	3
stopped by	χ² change (9.32e-08)
last largest shift/s.u.	0.0116
reduced χ²	1.42×10⁸
Rwp	4.51 %
Rwp, bm01	4.51 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	alpo4_c2221	cell		length_a	Å	6.9679	6.97	0.03
2	alpo4_c2221	cell		length_b	Å	7.1106	7.11	0.03
3	alpo4_c2221	cell		length_c	Å	7.0033	7.003	0.019
4	alpo4_p63mc	cell		length_a	Å	4.9830	4.983	0.007
5	alpo4_p63mc	cell		length_c	Å	9.5044	9.504	0.019
6	latp	cell		length_a	Å	8.4952	8.49525	1.8×10⁻⁴
7	latp	cell		length_c	Å	20.8270	20.8268	8×10⁻⁴
8	bm01	peak		broad_gauss_u	deg²	0.019	0.019	0.008	0.4%
9	bm01	peak		broad_gauss_v	deg²	0.019	0.020	0.005	3.7%
10	bm01	peak		broad_gauss_w	deg²	0.0156	0.0156	6×10⁻⁴
11	bm01	peak		mixing_eta_0		0.374	0.374	0.016	0.1%
12	bm01	instrument		calib_twotheta_offset	deg	-0.0387	-0.0387	5×10⁻⁴	0.1%
13	bm01	linked_structure	latp	scale		4.1383	4.15	0.03	0.2%
14	bm01	linked_structure	alpo4_c2221	scale		0.53351	0.53	0.12	0.1%
15	bm01	linked_structure	alpo4_p63mc	scale		1.5678	1.6	0.5	0.4%
16	bm01	background	4	intensity		3.70×10⁷	3.7×10⁷	0.3×10⁷
17	bm01	background	5	intensity		4.17×10⁷	4.17×10⁷	0.11×10⁷
18	bm01	background	7	intensity		5.28×10⁷	5.27×10⁷	0.11×10⁷
19	bm01	background	8	intensity		6.72×10⁷	6.72×10⁷	0.13×10⁷
20	bm01	background	9	intensity		8.27×10⁷	8.27×10⁷	0.15×10⁷	0.1%
21	bm01	background	10	intensity		7.99×10⁷	7.98×10⁷	0.11×10⁷	0.1%
22	bm01	background	12	intensity		4.82×10⁷	4.82×10⁷	0.07×10⁷
23	bm01	background	14	intensity		3.72×10⁷	3.71×10⁷	0.07×10⁷	0.1%
24	bm01	background	16	intensity		3.07×10⁷	3.07×10⁷	0.06×10⁷	0.1%
25	bm01	background	18	intensity		2.61×10⁷	2.61×10⁷	0.04×10⁷
26	bm01	background	20	intensity		2.44×10⁷	2.43×10⁷	0.04×10⁷	0.1%
27	bm01	background	23	intensity		2.29×10⁷	2.29×10⁷	0.04×10⁷	0.1%
28	bm01	background	25	intensity		2.28×10⁷	2.28×10⁷	0.04×10⁷	0.2%
29	bm01	background	27	intensity		2.51×10⁷	2.51×10⁷	0.04×10⁷	0.1%
30	bm01	background	30	intensity		2.44×10⁷	2.44×10⁷	0.03×10⁷	0.1%
31	bm01	background	33	intensity		2.59×10⁷	2.59×10⁷	0.03×10⁷	0.1%
32	bm01	background	36	intensity		1.93×10⁷	1.929×10⁷	0.017×10⁷	0.1%
33	bm01	background	38	intensity		1.60×10⁷	1.595×10⁷	0.016×10⁷	0.1%
34	bm01	background	40	intensity		1.66×10⁷	1.658×10⁷	0.015×10⁷	0.1%
35	bm01	background	43	intensity		1.89×10⁷	1.885×10⁷	0.015×10⁷	0.1%
36	bm01	background	45	intensity		1.81×10⁷	1.807×10⁷	0.015×10⁷	0.1%
37	bm01	background	47	intensity		1.79×10⁷	1.790×10⁷	0.013×10⁷
38	bm01	background	49	intensity		1.95×10⁷	1.947×10⁷	0.014×10⁷	0.1%
39	bm01	background	51	intensity		2.04×10⁷	2.036×10⁷	0.012×10⁷
40	bm01	background	53	intensity		2.19×10⁷	2.191×10⁷	0.012×10⁷	0.1%
41	bm01	background	55	intensity		2.24×10⁷	2.238×10⁷	0.011×10⁷
42	bm01	background	57	intensity		2.18×10⁷	2.183×10⁷	0.010×10⁷
43	bm01	background	59	intensity		2.38×10⁷	2.383×10⁷	0.008×10⁷
44	bm01	background	61	intensity		1.90×10⁷	1.895×10⁷	0.009×10⁷
45	bm01	background	62	intensity		1.55×10⁷	1.55×10⁷	0.03×10⁷

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