Reflex Summary Report for Pawley Refinement of DUT-46-49-12kPa-111K-abs-scan-2-50-6x30min-DUT-49_21

Final Rwp:	6.65%	Final Rp:	5.19%
Final Rwp (without background):	18.68%	Final CMACS:	0.03%

Setup

2q Range (degrees):	3.00-40.00	Step Size (degrees):	0.013
Experiment:	DUT-46-49-12kPa-111K-abs-scan-2-50-6x30min-DUT-49_2.xcd
Excluded Regions:	-
Number of Peaks:	707	Refined:	707

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:

P 21/A -3

Parameter	Value	Refined?
a	35.87719 ± 0.00183	Yes
b	35.87719 ± 0.00183	Yes
c	35.87719 ± 0.00183	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	0.01239	No
V	-0.00048	No
W	0.00903 ± 0.00037	Yes
X	0.02387	No
Y	0.06695 ± 0.00155	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	-0.07131 ± 0.00232	Yes
P2	-0.00580 ± 0.00050	Yes
P3	0.00000	No
P4	0.00000	No