ABSORB-7 and ABSORB-GUI for single-crystal absorption corrections

被引:57
作者
Angel, Ross [1 ]
Gonzalez-Platas, Javier [2 ]
机构
[1] Univ Padua, Dipartimento Geosci, I-35131 Padua, Italy
[2] Univ La Laguna, Dept Fis Fundamental 2, Serv Difracc Rayos X, E-38206 Tenerife, Spain
关键词
X-RAY; DIFFRACTION;
D O I
10.1107/S0021889812048431
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
ABSORB is a program to calculate and apply absorption corrections to single-crystal X-ray intensity data from any source, any detector type and any instrument configuration. A new version, ABSORB-7, contains several significant new features. ABSORB-GUI has been developed to allow much easier specification of standard experiments and to enable experimental information to be imported from diffractometer software. The program that calculates the absorption calculations has been reconfigured to allow it to be called directly from other commercial and non-commercial software packages. In addition, a number of new features have been introduced to allow more flexibility in the way the experimental configuration is described and to correct synchrotron diffraction data collected with beams smaller than the sample crystal.
引用
收藏
页码:252 / 254
页数:3
相关论文
共 16 条
[1]   Absorption corrections for diamond-anvil pressure cells implemented in the software package -: Absorb6.0 [J].
Angel, RJ .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2004, 37 :486-492
[2]  
[Anonymous], 2012, CrysAlisPro Software system
[3]   THE EVALUATION OF TRANSMISSION FACTORS AND THEIR 1ST DERIVATIVES WITH RESPECT TO CRYSTAL SHAPE-PARAMETERS [J].
BLANC, E ;
SCHWARZENBACH, D ;
FLACK, HD .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1991, 24 :1035-1041
[4]   AN EMPIRICAL CORRECTION FOR ABSORPTION ANISOTROPY [J].
BLESSING, RH .
ACTA CRYSTALLOGRAPHICA SECTION A, 1995, 51 :33-38
[5]  
BURNHAM CW, 1966, AM MINERAL, V51, P159
[6]   ANGLE CALCULATIONS FOR 3- AND 4- CIRCLE X-RAY AND NEUTRON DIFFRACTOMETERS [J].
BUSING, WR ;
LEVY, HA .
ACTA CRYSTALLOGRAPHICA, 1967, 22 :457-&
[7]   Scaling and assessment of data quality [J].
Evans, P .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2006, 62 :72-82
[8]   XDS [J].
Kabsch, Wolfgang .
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2010, 66 :125-132
[9]  
MEULENAER JD, 1965, ACTA CRYSTALLOGR, V19, P1014
[10]   A SEMI-EMPIRICAL METHOD OF ABSORPTION CORRECTION [J].
NORTH, ACT ;
PHILLIPS, DC ;
MATHEWS, FS .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1968, A 24 :351-&