デコンボリューションによる粉末X線回折データからの装置収差の除去
2003 年 45 巻 4 号 p. 249-255
詳細
2003 年 45 巻 4 号 p. 249-255
A novel method for eliminating instrumental aberrations from powder X-ray diffraction data has been developed. The method is based on fast Fourier transformation (FFT) combined with abscissa-scale transformation appropriately modeled for each instrumental aberration. All the main aberrations of laboratory powder diffractometer with Bragg-Brentano geometry, (1) Kα2 subpeak, (2) axial-divergence aberration, (3) flat-specimen aberration, and (4) sample transparency effect, can be automatically removed from the whole powder diffraction data ranging wide diffraction angles in quite a simple procedure. Propagation of the statistical errors attached to the source data through the Fourier transformation is also discussed.
