PbSO₄ [Pnma] · D1A @ ILL and laboratory X-ray

Fit result

Overall status	Success
time	0.72 s
iterations	8
reduced χ²	5.19
Rwp	9.45 %
Rwp, d1a	8.09 %
Rwp, lab	12.82 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	pbso4	cell		length_a	Å	8.47935	8.48009	0.00015
2	pbso4	cell		length_b	Å	5.3978	5.39828	0.00010
3	pbso4	cell		length_c	Å	6.95925	6.95985	0.00013
4	d1a	peak		broad_gauss_u	deg²	0.276584	0.294	0.008	6.3% ↑
5	d1a	peak		broad_gauss_v	deg²	-0.622084	-0.658	0.017	5.7% ↓
6	d1a	peak		broad_gauss_w	deg²	0.516318	0.535	0.010	3.7% ↑
7	d1a	peak		mixing_eta_0		0.392133	0.387	0.012	1.3% ↓
8	d1a	peak		asym_beba_a0		-0.240509	-0.25	0.03	3.7% ↓
9	d1a	peak		asym_beba_b0		-0.0499355	-0.054	0.006	7.8% ↓
10	d1a	peak		asym_beba_a1		-0.551035	-0.54	0.08	2.7% ↑
11	d1a	peak		asym_beba_b1		0.0358646	0.051	0.014	41.2% ↑
12	d1a	instrument		calib_twotheta_offset	deg	0.0133359	0.022	0.003	68.4% ↑
13	d1a	linked_structure	pbso4	scale		1.21749	1.217	0.006	0.1% ↓
14	d1a	background	1	intensity		209.273	209	7
15	d1a	background	2	intensity		197.836	198	5
16	d1a	background	3	intensity		192.763	193	3	0.1% ↓
17	d1a	background	4	intensity		198.023	198.4	1.9	0.2% ↑
18	d1a	background	5	intensity		219.254	219.3	1.9
19	d1a	background	6	intensity		199.647	199.7	1.0
20	d1a	background	7	intensity		221.091	221.0	1.5
21	d1a	background	8	intensity		192.203	193	3	0.4% ↑
22	lab	peak		broad_gauss_u	deg²	0.0502303	0.054	0.003	8.0% ↑
23	lab	peak		broad_gauss_v	deg²	-0.0227263	-0.028	0.003	24.4% ↓
24	lab	peak		broad_gauss_w	deg²	0.0106647	0.0121	0.0006	13.4% ↑
25	lab	peak		mixing_eta_0		0.827541	0.820	0.013	0.9% ↓
26	lab	peak		asym_beba_a0		0	-0.179	0.011
27	lab	peak		asym_beba_b0		0	-0.0317	0.0017
28	lab	instrument		calib_twotheta_offset	deg	-0.0478521	-0.0387	0.0014	19.2% ↑
29	lab	linked_structure	pbso4	scale		8.51×10⁻⁴	8.53×10⁻⁴	0.03×10⁻⁴	0.3% ↑
30	lab	background	1	coef		112.65	112.0	1.0	0.6% ↓
31	lab	background	2	coef		32.2684	31.3	1.4	3.1% ↓
32	lab	background	3	coef		14.5207	13.9	1.3	4.2% ↓
33	lab	background	4	coef		10.8448	10.9	1.2	0.4% ↑
34	lab	background	5	coef		-6.87346	-7.1	1.1	3.0% ↓
35	lab	background	6	coef		-6.56012	-6.7	1.1	2.2% ↓

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