Cell convert (source code) (executable)
An excel spreadsheet to index cell.
Windows version of asfit (work in progress)
(all files zipped)
Data and Analysis
These patterns are offered without any representation of their accuracy, freedom from preferred orientation, detector zero offset, etc., although we believe that they are basically OK. If you think there is a problem, please contact Peter Stephens (email@example.com). In all cases, the data were collected at beamline X3B1 of the NSLS, with Si(111) double crystal monochromator, and a Ge(111) analyzer.
Any person is welcome to download and use this data for test or demonstration purposes. However, if you forward this data to another person, or store it where it can be recovered by others (e.g. your own web page), or forward or store any analysis based on it, you should please include an acknowledgement of its source (this web page), and inform us of its use. The offer of free use does not extend to publication; do not publish results from this data, either in the open literature or for advertising purposes, without written permission from Peter Stephens. That restriction will not apply once we have published our own paper(s) on these results.
molecules in: (I) 2-amino-4,5-dimethoxyacetophenone; (II) 1,4-benzenedimethanol;
(III) 3-aminoquinoline; (IV) 3-amino-5-mercapto-1,2,4-triazole; (V)
(VI) VI. 4,4'-difluorobenzyl and (VII) 1,3-diphenoxybenzene.
CAS Number 4101-30-8
CAS Number 589-29-7, Alfa Aesar Item # A14405
CAS Number 580-17-6, Alfa Aesar Item # A16592
wavelength approx. 1.148407
CAS Number 16691-43-3, Alfa Aesar Item # A15242
wavelength approx 1.149681
CAS Number 230-17-1
CAS Number 579-39-5
CAS Number 3379-38-2
CeO2 data for Size/Strain
This is some of the data collected, with estimated standard deviations (ESD's) included in the data files.
Annealed sample. Data collected in flat plate, at wavelength 0.6998 Angstrom.
3 Columns of 2theta, norm. intensity, ESD ceo2_a.xy
Fullprof data file (INST=4) ceo2_a.dat
Le Bail refinement on Fullprof ceo2_a.pcrceo2_a.out
GSAS data file ceo2_a.gda
ICDD data for PPXRD2
Data collected in 1.5 mm spinning capillaries, at 0.69968(1) Angstrom. Samples furnished by ICDD. Asymmetry correction parameters W/L = H/L ~ 0.013 in Fullprof or GSAS.
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