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

Fit result

Overall status	Success
time	0.78 s
iterations	9
reduced χ²	5.39
Rwp	9.64 %
Rwp, d1a	8.03 %
Rwp, lab	13.50 %

Fitted parameters

#	datablock	category	entry	parameter	units	start	value	s.u.	change
1	pbso4	cell		length_a	Å	8.47195	8.47935	0.00013	0.1% ↑
2	pbso4	cell		length_b	Å	5.39297	5.39780	0.00009	0.1% ↑
3	pbso4	cell		length_c	Å	6.95312	6.95925	0.00011	0.1% ↑
4	d1a	peak		broad_gauss_u	deg²	0.167666	0.277	0.008	65.0% ↑
5	d1a	peak		broad_gauss_v	deg²	-0.370369	-0.622	0.017	68.0% ↓
6	d1a	peak		broad_gauss_w	deg²	0.368336	0.516	0.010	40.2% ↑
7	d1a	peak		mixing_eta_0		0.426697	0.392	0.012	8.1% ↓
8	d1a	peak		asym_beba_a0		0	-0.24	0.03
9	d1a	peak		asym_beba_b0		0	-0.050	0.006
10	d1a	peak		asym_beba_a1		0	-0.55	0.08
11	d1a	peak		asym_beba_b1		0	0.036	0.014
12	d1a	instrument		calib_twotheta_offset	deg	-0.102746	0.013	0.003	113.0% ↑
13	d1a	linked_structure	pbso4	scale		1.21929	1.217	0.006	0.1% ↓
14	d1a	background	1	intensity		209.466	209	7	0.1% ↓
15	d1a	background	2	intensity		197.398	198	5	0.2% ↑
16	d1a	background	3	intensity		194.308	193	3	0.8% ↓
17	d1a	background	4	intensity		194.439	198.0	1.9	1.8% ↑
18	d1a	background	5	intensity		219.024	219	2	0.1% ↑
19	d1a	background	6	intensity		199.559	199.6	1.1
20	d1a	background	7	intensity		221.202	221.1	1.6
21	d1a	background	8	intensity		187.365	192	3	2.6% ↑
22	lab	peak		broad_gauss_u	deg²	0.300502	0.050	0.003	83.3% ↓
23	lab	peak		broad_gauss_v	deg²	-0.183407	-0.023	0.003	87.6% ↑
24	lab	peak		broad_gauss_w	deg²	0.0371065	0.0107	0.0006	71.3% ↓
25	lab	peak		mixing_eta_0		0.695412	0.828	0.013	19.0% ↑
26	lab	instrument		calib_twotheta_offset	deg	-0.0797173	-0.0479	0.0006	40.0% ↑
27	lab	linked_structure	pbso4	scale		8.59×10⁻⁴	8.51×10⁻⁴	0.04×10⁻⁴	0.9% ↓
28	lab	background	1	coef		107.533	112.6	1.0	4.8% ↑
29	lab	background	2	coef		31.7973	32.3	1.4	1.5% ↑
30	lab	background	3	coef		21.4067	14.5	1.3	32.2% ↓
31	lab	background	4	coef		12.9855	10.8	1.3	16.5% ↓
32	lab	background	5	coef		-10.4724	-6.9	1.1	34.4% ↑
33	lab	background	6	coef		-1.66071	-6.6	1.1	295.0% ↓

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