TY - JOUR
T1 - Improved measures of quality for the atomic pair distribution function
AU - Peterson, Peter F.
AU - Božin, Emil S.
AU - Proffen, Thomas
AU - Billinge, Simon J.L.
PY - 2003/2
Y1 - 2003/2
N2 - The introduction of neutron spallation-source instruments, such as the General Materials Diffractometer (GEM) at ISIS, allows measurement of pair distribution function (PDF) data at significantly higher rates than previously possible. As a result of the increased rate, a single experiment can produce over a hundred individual runs. Manual processing of all these data using traditional methods becomes inconvenient and inefficient. This article presents quality criteria that help produce automated direct Fourier transformed PDFs of quality similar to hand-processed data, and compares optimization methods.
AB - The introduction of neutron spallation-source instruments, such as the General Materials Diffractometer (GEM) at ISIS, allows measurement of pair distribution function (PDF) data at significantly higher rates than previously possible. As a result of the increased rate, a single experiment can produce over a hundred individual runs. Manual processing of all these data using traditional methods becomes inconvenient and inefficient. This article presents quality criteria that help produce automated direct Fourier transformed PDFs of quality similar to hand-processed data, and compares optimization methods.
UR - http://www.scopus.com/inward/record.url?scp=0038713194&partnerID=8YFLogxK
U2 - 10.1107/S0021889802018708
DO - 10.1107/S0021889802018708
M3 - Article
AN - SCOPUS:0038713194
SN - 0021-8898
VL - 36
SP - 53
EP - 64
JO - Journal of Applied Crystallography
JF - Journal of Applied Crystallography
IS - 1
ER -