Reflex Summary Report for Pawley Refinement of DUT-46-49-5kPa-des-111K-abs-scan-2-50-6x30min-DUT-49_11

Final Rwp:	6.90%	Final Rp:	5.45%
Final Rwp (without background):	18.70%	Final CMACS:	0.02%

Setup

2q Range (degrees):	2.50-40.00	Step Size (degrees):	0.013
Experiment:	DUT-46-49-5kPa-des-111K-abs-scan-2-50-6x30min-DUT-49_1.xcd
Excluded Regions:	-
Number of Peaks:	705	Refined:	705

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	35.72157 ± 0.00172	Yes
b	35.72157 ± 0.00172	Yes
c	35.72157 ± 0.00172	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	-0.01237 ± 0.00447	Yes
W	0.01683	No
X	0.11186 ± 0.01773	Yes
Y	0.01615	No
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:

Finger-Cox-Jephcoat

2q Limit:

90.000

Parameter	Value	Refined?
H/L	0.01349 ± 0.00221	Yes
S/L	0.01138 ± 0.00252	Yes