Reflex Summary Report for Pawley Refinement of DUT-46-49-vac-111K-abs-scan-2-50-6x30min-DUT-49_11

Final Rwp:	11.41%	Final Rp:	9.09%
Final Rwp (without background):	17.98%	Final CMACS:	0.42%

Setup

2q Range (degrees):	2.50-40.00	Step Size (degrees):	0.013
Experiment:	DUT-46-49-vac-111K-abs-scan-2-50-6x30min-DUT-49_1.xcd
Excluded Regions:	-
Number of Peaks:	409	Refined:	409

Radiation

Type:	X-ray	Source:	Copper
l (Å):	1.540562	Monochromator:	None
Anom. Dispersion:	No	Polarization:	0.500

Lattice Parameters

Lattice Type:

Cubic

Space Group:

F 2 3

Parameter	Value	Refined?
a	45.34837 ± 0.00265	Yes
b	45.34837 ± 0.00265	Yes
c	45.34837 ± 0.00265	Yes
a	90.00000	No
b	90.00000	No
g	90.00000	No

Pattern Parameters

Profile Function:

Thompson-Cox-Hastings

FWHM

Parameter	Value	Refined?
U	0.01000	No
V	-0.02582	No
W	0.01578 ± 0.00038	Yes
X	0.10091	No
Y	0.06627 ± 0.00135	Yes
Z	0.00000	No

Line Shift

Instrument Geometry:

Bragg-Brentano

Parameter	Value	Refined?
Zero Point	0.00000	No
Shift #1	0.00000	No
Shift #2	0.00000	No

Asymmetry

Correction:

Berar-Baldinozzi

2q Limit:

90.000

Parameter	Value	Refined?
P1	-0.06616 ± 0.00080	Yes
P2	-0.01044 ± 0.00017	Yes
P3	0.01234	No
P4	0.00222	No