[sdpd] Announcement of the PPDF-1 (Predicted Powder Diffraction File)

[Armel Le Bail <armel.le_bail...@univ-lemans.fr>]

Hi,

The PPDF-1 (Predicted Powder Diffraction File version 1)
contains > 60.000 patterns calculated from the crystal
structures in PCOD (Predicted Crystallography Open Database)
recently updated with silicates, phosphates, sulfates of Al,
Ti, V, Ga, Zr, Nb, ... , zeolites, fluorides, etc.

PPDF : http://www.crystallography.net/pcod/PPDF/
PCOD :http://www.crystallography.net/pcod/

Moreover, identification by search-match is now possible
with the EVA (Bruker) software. A positive identification
through the PPDF-1 combined with EVA is now equivalent
to an immediate SDPD, even before indexing. Demonstrations
at the PPDF Web page.

The PPDF-1 binary files for EVA are available to interested
users (the database content is limited to microporous and
open frameworks, exclusive corner-sharing polyhedra)
on demand (~40Mo compressed).

The PPDF-1 text file necessary for being used by other
search-match software can be sent on demand (40Mo
compressed in a .zip file).

Best regards,

Armel



 
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