Quality Marks (QM) are assigned based upon a number of parameters (see the Help document in the PDF software).
|S or ★||Star||high-quality diffractometer or Guinier data|
|I||Indexed||pattern has been indexed|
|O||Low-Precision||data take on poorly characterized material or data known (or suspected) to be low precision|
|B||Blank||does not meet Star, Indexed, or Low-Precision criteria|
|C||Calculated||calculated from single-crystal structural parameters; structural refinement R-factor was <0.10|
|P||Prototyping||used in the LPF. Prototype structure is an editorial action (i.e., assigned by the PDF editor, not the original source) to assign space group coordinates for entries that have not determined this from the primary literature|
|R||Rietveld||d-values are directly the result of Rietveld refinement of the data (only accepted in unusual cases)|
|H||Hypothetical||calculated from the atomic positions and thermal parameters of an isostructural compound|
Significant figures vary throughout the database. In the early years, two significant figures beyond the decimal point were usually the best that could be obtained. Currently, up to seven may be supplied.
The original data was experimentally derived. As other sources of data were added to the database, prefix numbers were assigned to the source. Specific subsets of the database can be searched separately and results sets can be sorted by source. This is useful when the compound is a known type (mineral, organic) or a data-gathering method is prefrered (experimental, calculated).
|Source||Source Prefix||Set||Card||Old 6-Digit Card||New 9-Digit Card|
|Abbreviation||Full Name||Data Type|
|ICDD||International Centre for Diffraction Data||mix|
|ICSD (FIZ)||FIZ (Fachinformationszentrum) Karlsruhe||mix|
|CSD (CCDC)||Cambridge Crystallographic Data Centre||organic|
|NIST||National Institute of Science and Technology||inorganic|
|LPF (MPDS)||Linus Pauling File||inorganic|