Question

material studio 中 模拟的xrd衍射峰怎么导出

Answer 1

MS支持raw格式，可以import
File type Extension Origin Datasets Type Data Format
Bruker RAW .raw Bruker (formerly Siemens) 1+ PD Binary
Bruker UXD .uxd Bruker (formerly Siemens) 1+ PD ASCII
Philips RD .rd PANalytical (formerly Philips) 1 PD Binary
Philips RDF .rdf PANalytical (formerly Philips) 1 PD ASCII
Philips UDF .udf PANalytical (formerly Philips) 1 PD ASCII
XRDML .xrdml PANalytical (formerly Philips) 1 PD ASCII
Scintag TXT .stg Scintag Corp. 1 PD ASCII
Scintag ARD .ard Scintag Corp. 1 PD ASCII
STOE LST .lst Stoe 1+ PD ASCII
STOE XYD .xyd Stoe 1 PD ASCII
STOE RAW .raw Stoe 1+ PD Binary
3CAM .3cam Cambridge University 1 PD ASCII
Thermo Scientific SPC .spc Thermo Scientific 1 SPEC Binary
GSAS raw .raw Los Alamos National Laboratory 1+ PD ASCII
ILL .ill Institut Laue Langevin 1 PD ASCII
Jade MDI .mdi Materials Data, Inc. 1 PD ASCII
JCAMP .jdx, .dx, .jcm IUPAC Working Party on Spectroscopic Data Standards 1 SPEC Mixed ASCII/Binary
PD3 .pd3 International Centre for Diffraction Data (ICDD) 1 PD ASCII
Rigaku ASC .asc Rigaku 1+ PD ASCII
PD = powder diffraction data; SPEC = general spectroscopic data.
Tip: When the format that your experimental data is in is not supported, it may be possible to convert it into one of the simple file formats that Materials Studio can read. The Cambridge University 3CAM and Stoe XYD formats are recommended for this purpose. Remember to change the file extension accordingly after you convert your data so that Materials Studio can recognize the file type.