Transcript ICDD Release 2008 New Features

ICDD Release 2008
New Features
PDF-4+ Using DDView+ 2008
PDF-2 Using DDView 2008
New Features
• The 2008 release of ICDD databases
boasts an impressive array of new
features. This presentation will
demonstrate many of these new features
using DDView+ 2008 and DDView 2008,
ICDD’s own data-mining software. This
year, ICDD has:
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Increased the power of the user-interface
Added new data and functionality
Optimized searching operations
Enhanced the performance of graphics
Alphabetical Prototype
Structure Search
• The Prototype Structure searches now
include the option of searching on
alphabetically ordered formulas
Alphabetical order
Alphabetical Prototype
Structure Fields
• Alphabetically ordered Prototype Structures are
now shown on the PDF Card
Alphabetically ordered
New Display Fields*
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The Search Results form has four new display fields, giving a total of 70
– Ambient/Non-ambient: The ambient or non-ambient conditions under which the pattern was
created
– Has Atomic Coordinates: Whether or not the pattern contains atomic coordinate data
– Prototype Structure (Alpha Order): The alphabetically ordered Prototype Structure
– LPF Prototype Structure (Alpha Order): The alphabetically ordered LPF Prototype Structure
*PDF-4 only
Enhanced Search Results Table
• Abbreviated data has tooltips
• Overflowing data shows ellipses “…”
• Database Comments use scrollbars*
Ellipses
Tooltip
Scrollbar
*PDF-4 only
Graph Individual Elements*
• The Graph Fields form can now graph
individual element composition for
Weight % and Atomic % display fields
Graph Zn elements
*PDF-4 only
Select individual element
Graph Individual Elements*
• This is an example of the Graph Fields form,
graphing the Author’s Cell a versus weight %
of the element Zn
Likely concentration of
Zn is 15% if a=3.640Å
*PDF-4 only
Clickable X-Y Graph Points
• PDF Cards and Diffraction Patterns* can now be
opened in the Graph Fields form using the X-Y
points
– Click X-Y points with mouse
– Select an area of X-Y points with mouse
Click for PDF Cards or
Diffraction Patterns
*PDF-4 only
Select area for PDF Cards or
Diffraction Patterns
Footnotes for d-Spacings
• The * field, or Footnotes for d-Spacings field, has been added
to the PDF Card d-Spacings table
– This field shows a number index for a d-Spacing that corresponds
to an editor comment
– Simply match the number index in the * field with the number
index in the Database Comments field
PD3 Patterns*
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PD3 patterns are now available for over 2,600 entries, including 44
clay materials
PD3 patterns are experimental powder diffraction raw data for
selected:
– Nano-crystalline materials
– Semi-crystalline materials
– Amorphous materials
*PDF-4 only
Button for full
PD3 pattern
PD3 pattern
preview
PD3 Patterns*
• Kaolinite-1A, a clay PD3 pattern
*PDF-4 only
Enhanced Diffraction Patterns*
• The graphing package has been upgraded
for increased speed
• Average Energy value is now available for
Experimental and Calculated Pattern
radiation
Average Energy
*PDF-4 only
Enhanced Electron Patterns*
• The Simulated Electron Patterns now
show the approximate intensity via
the size of the spot
*PDF-4 only
Import Experimental Data in PDF-2
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Importing experimental data into SIeve, ICDD’s search-index plug-in,
is now available in DDView 2008 using PDF-2 2008
These experimental data operations are now available:
– Remove background
– Smoothing
– Peak finding
New SIeve Display Fields
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To increase the functionality of the SIeve Matches table, three new display fields
have been added
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Quality Mark: A flag representing the quality of the pattern
Status: A flag representing the database status of the pattern (Primary, Alternate, or
Deleted)
Atomic Coordinates*: Whether or not the pattern contains atomic coordinate data
*PDF-4 only
Thank you for viewing our
tutorial. Additional tutorials are
available at the ICDD web site
(www.icdd.com).
International Centre for Diffraction Data
12 Campus Boulevard
Newtown Square, PA 19073
Phone: 610.325.9814
Fax: 610.325.9823