Download Manual ADT3D

43
Together with the evaluation charts a window showing the reflection intensity appears. In this
window h k l Intensity and sigma (estimated as a square root of the intensity value) are
represented.
In order to save the hkl file the user should select the save standard HKL file option from the
File menu of the main window.
Intensity data is written out in a standard crystallographic 3i4, 2f8.2 format. When the data set
contains high intensity values which go over 8 digits, the program automatically changes
format into 3i4, 2f8.1 format to avoid clipping of strong reflections. When further space is
needed to write out the intensities, the format is automatically changed to 3i4, 2f8.0. Further
reduction can be done by division by 10, 100, etc. If a format has to be changed a message
appears in the log panel. Below an example of hkl file is shown. This filed can be used as
input for crystallographic structure solution programs like SIR, provided the atomic scattering
factors for electrons are available.
43