Data Category exptl


Category name
Required in PDB entries
Category group membership
Used in current PDB entries
Yes, in about 100.0 % of entries

Category Relationship Diagrams

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Category Description

               Data items in the EXPTL category record details about the
               experimental work prior to the intensity measurements and
               details about the absorption-correction technique employed.

Category Example

    _exptl.entry_id                    datablock1
    _exptl.absorpt_coefficient_mu      1.22
    _exptl.absorpt_correction_T_max    0.896
    _exptl.absorpt_correction_T_min    0.802
    _exptl.absorpt_correction_type     integration
    ; Gaussian grid method from SHELX76
      Sheldrick, G. M., "SHELX-76: structure determination and
      refinement program", Cambridge University, UK, 1976
    _exptl.crystals_number             1
    ; Enraf-Nonius LT2 liquid nitrogen variable-temperature
      device used
    _exptl.method             'single-crystal x-ray diffraction'
    ; graphite monochromatized Cu K(alpha) fixed tube and
      Enraf-Nonius CAD4 diffractometer used

Key Data Items