PDF-2 Tools and Searches

PDF-2 Release 2009Using DDView

The PDF-2 Release 2009 database requires retrieval software, such as ICDD’s DDView or developers’ software, in order to convert the data into readable forms. ICDD’s DDView retrieval and search software provides search and data filtering capabilities using 49 search classifications and display of 24 data fields to allow data mining of the PDF-2 Release 2009 database. This quick tutorial will introduce you to the basics of DDView filters available to refine your search.

Getting Started: The DDView Toolbar

Search Window: Overview of Search Classifications

Data Mining Basics

Search Example

PDF Data Card

Launch ScreenThis will be the opening screen when you have correctly openedPDF-2 Release 2009. The viewing program (shown here) is DDView.

Tool Bar

Pop-up window contains Help TipsPrimary Search Menu

Open a known PDF card.

Navigate quickly to a recent PDF card.

Tool Bar

Getting Started

Edit functions

Quick navigation to Search Window, Search History, Search Results, SIeve and Comments Report.

The PDF Card Preferences are associated with the PDF Card form. Preferences enables you to customize your settings, or associated set of Preferences, for form displays. These Preferences are saved locally to the hard drive but are individual to the current user account.

Customize Wavelength, Intensity and Report Style.

Tool Bar

Quick Navigation Icons

Select a PDF Card

Select Preferences Module

Open Search WindowOpen SIeve

Open Results Window

Open History Window

Quick Icon Tips

Text Criteria Icon – select button to display a list containing lookup values.

List Criteria Icon – select button to display a single-level or multi-level listing of search criteria.

Primary Search MenuThe Search Window displays seven tabs. Each tab features multiple search criteria to allow you to data mine the PDF-2. Searching the PDF-2 is an iterative process that allows you to input user-defined criteria, view the results, and combine additional criteria to refine your results.

Search Window Subfiles/Database Filters

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Refine your search by selecting filters under the Subfiles/Database Filters Tab. Select criteria under Database, Status, Ambient/Non-ambient, Quality Mark (QM) and Subfile/Subclass.

Search Window Subfiles/Database Filters

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Filters:

Database – search the entire database or select the data entry source (i.e., ICDD (00) – ICDD’s experimental patterns).

Status – select filters based on the status of the pattern, which can be Active, Deleted, Alternate, Rejected or Primary.

Ambient/Non-ambient – select filters related to the environment (especially temperature and pressure).

Quality Mark (QM) – select filters related to the quality evaluation assigned to the data.

Subfiles/Subclass – select filters related to assigned subfiles/subclass.

Search WindowPeriodic Table Filters

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Refine your search by selecting filters based upon the elements in a material. Select elements individually (i.e., H, He, Li, etc.) or by group (i.e., IA, Noble Gases, Period 1, etc.).

Select the Inner Operator to combine the elements in the group using Not, And, Or, Only and Just.

Select the Outer Operator to combine element groups using And & Or.

Search Window Elements

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Refine your search by selecting filters based upon the elements in a material.

Empirical Formula – filters on an element that has a particular atom count as expressed in the formula.

Formula Type – filters on formula type or ANX.

Composition – filters on the weight percent or atomic percent of the formula.

Number of Elements – filters on the total number of unique elements in a chemical formula.

Search WindowNames

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Refine your search by selecting filters based upon the name or name fragment of a material.

Compound Name – filters based on the compound name.

Common Name – filters based on the informal, but recognizable name.

Mineral Name – filters based on the mineral name.

All Names – filters based on the compound name, common name, or mineral name.

Search WindowNames

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Refine your search by selecting filters based upon classification criteria. The classifications are displayed in a List Criteria Panel. Subclasses are indicated next to a classification by a + button. Single-click this button to expand the list.

Zeolite Classification – filters based on the zeolite classification.

Mineral Classification – filters based on the mineral classification.

Search Window References

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Refine your search by selecting filters based upon the journal references of a material.

Select filters by Author (author name), Coden (journal coden), Journal (journal name), Title (article title), Chemical Abstracts Registry Service (CAS #), and Year (publication year).

Search WindowStructures

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The Structures tab displays four additional search tabs: Pearson Symbol Code, Author’s Cell, Crystal Data and Reduced Cell. Refine your search by selecting filters based upon the structure of a material.

Search Window Pearson Symbol Code

Filters for Pearson Symbol Codes with and without Hydrogen.

Filters based on a user-constructed Pearson Symbol Code.

Filters based on the aspect symbol according to nomenclature defined by the author.

Filters based on the international space group numbers (1-230).

Filters based on the crystal properties (with symmetry allowed).

Filters based on space group symmetry according to the nomenclature defined by the author.

Search Window Author’s Cell

Filters based on the lengths of the three axes of the author’s cell.

Filters based on space group symmetry according to the nomenclature defined by the author.

Filters based on the volume of the author’s cell.

Filters based on aspect symbol according to the nomenclature defined by the author.

Convert Cell form used to convert Author’s Cell Axis/Volume data to Crystal or Reduced Cell Axis/Volume data for searching.

Search Window Crystal Data

Filters based on the lengths of the three axes of the crystal data.

Filters based on the volume of the crystal data.

Search Window Reduced Cell

Filters based on the lengths of the three axes of the reduced cell.

Filters based on the volume of the reduced cell.

The reduced cell is a unique, primitive cell based on the three shortest lattice translations.

Search Window Miscellaneous

Filters based on the ratio of the intensity of the strongest line of the pattern to the intensity of the strongest line of corundum in a 50/50 weight mixture.

Filters based on the melting point. Specify degrees Celsius, Kelvin or Fahrenheit by selecting the temperature radio button.

Filters based on the SS/FOM. The figure of merit generally used is that reported by Smith & Snyder, which indicates the completeness & accuracy of measured interplanar spacings.

Filter based on the text contained in comments.

Filters based on the measured, calculated or structural density of the material.

• Select your filter criteria

• Make use of logical Boolean operators, text and list boxes

• Search

• Review results

• Refine search with additional criteria

Note: Selected search criteria is highlighted in red to keep track of your selections.

Data Mining BasicsSearch

Results

PDF Card

History

User Data

Search Example

Select Elements in Periodic Table

Select Author Defined Space Group

Select Compound Name

Selected filters highlighted in red

Search Filters

Search Results

Open PDF CardSearch Results

Double-click on a PDF number to view the entire PDF Card.

PDF Data Card

Tabular view of reported data

Historic stick pattern

Choose equipment factors

PDF Data CardOpen multiple PDF Cards.

Hold the Ctrl key, then select PDF cards. Right click mouse, select Open PDF Card.

PDF Data Card

Undock your data to view information side-by-side. Right click on Fixed Slit Intensity tab, then choose Undock or select d-Spacings from the Toolbar.

View your data simultaneously.

International Centre for Diffraction Data

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Thank you for viewing our tutorial. Additional tutorials are available at the ICDD website (

www.icdd.com).