PDF4 Organics PDF-4/Organics 2023

Solve Difficult Problems, Get Better Results

PDF-4/Organics 2023

New for PDF-4/Organics 2023 – ICDD Server Edition

Previously, our ICDD databases have all been tied to a single PC. Our workplaces and work habits have evolved from just a few years ago, and our new database licensing model provides the flexibility that large organizations and academics need to meet the varying demands of their clients, teams, and students. Now for the first time, the PDF-4/Organics database can float between users. We’ve taken the floating seat license model that has proven so popular from JADE® Pro, and applied it to our two most powerful database products, PDF-4+ and PDF-4/Organics. Install on your server and as many computers as you wish. A 10-User license provides access to 10 computers at a time and floats among an unlimited number of systems.

ICDD Server Edition Circles

PDF-4/Organics 2023 database is a highly targeted collection, with special focus on materials used in commercial and regulatory fields. It is designed to solve difficult problems that are analyzed by powder diffraction analysis for a multitude of applications in the pharmaceutical, regulatory, specialty chemical, biomaterial, and forensic fields.

With 608,700+ entries, the PDF-4/Organics provides the best of both worlds by including single crystal and powder diffraction data together in a single, edited, and standardized database. ICDD extracts information from the public literature like other databases – and then adds unique content by extracting patent data, combining single crystal and powder references, adding common inorganics and polymers, and continuously adding targeted materials through grants and research proposals.

Includes 44,300+ new CSD entries from a new partnership with Cambridge Crystallographic Data Centre.

Pharmaceuticals and Narcotics

ICDD continues to fund research for reference data of top sales volume pharmaceuticals. This enhances the database libraries for active pharmaceutical ingredients and excipients, and includes crystalline, nanocrystalline, and amorphous references.  ICDD has implemented cross–references from ICDD’s experimental patterns with the corresponding Cambridge Structural Database (CSD) entries that are in the PDF-4/Organics database.

Using PDF-4/Organics 2023

Key Points

  • Largest collection of pharmaceuticals, excipients, and polymers
  • Features 608,700+ entries and with 204,200+ entries with atomic coordinates
  • Integrated data mining software
  • SIeve+ search-indexing software included as an added value
  • Combines crystalline, semi-crystalline, and amorphous solid state materials
  • Combines powder and single crystal data
  • Highly targeted collection with special focus on materials used in commercial and regulatory fields
  • Enhanced identification for crystalline, nano and amorphous materials
  • One (1) year license serviced by subscription   


  • Number of entries – 608,700+
  • New entries  – 48,554


Entries with Simulated Digital Patterns – 608,700+
Entries with Reference Intensity Ratio (I/Ic) – 573,700+
Entries with Atomic Coordinates – 204,200+
Entries with Experimental Raw Data Digital Patterns – 9,720+


  • 80 types of Search Selections
  • 134 types of Display Fields

Database Sources

Includes 44,300+ new CSD entries from a new partnership with Cambridge Crystallographic Data Centre.
Our collaborative partners include:
  • ICDD Powders (00) – International Centre for Diffraction Data Newtown Square, PA, USA
  • ICSD (01) –Fachinformationszentrum Karlsruhe (FIZ) Karlsruhe, Germany – Inorganic Crystal Structure Database
  • CSD (02) – Cambridge Structural Database
  • NIST (03) – National Institute of Standards and Technology, Gaithersburg, Maryland, USA
  • ICDD Single Crystal Data (05) – International Centre for Diffraction Data Newtown Square, PA, USA


  • Pharmaceuticals – 13,531
  • Excipients – 3,268
  • Forensics – 12,675
  • Common Phases – 8,533
  • Pigments and Dyes – 2,491
  • Bioactives – 34,552
    • Narcotics – 236
    • Psychotropics – 308
    • Depressants  – 1,033
    • Pesticides & Antimicrobials  – 3,719
    • Stimulants – 139

All subfiles: Alkaloid , Amino Acid, Peptide & Complex, Battery Material, Bioactive, Carbohydrate, Cement & Hydration Product, Ceramic, Common Phase, Education, Explosive, Forensic, Hydrogen Storage Material, Inorganic, Intercalate, Ionic Conductor, Merck, Metal & Alloy, Micro & Mesoporous, Mineral Related, Modulated Structure, NBS, Nucleoside & Nucleotide, Organic, Pharmaceutical, Pigment & Dye, Polymer, Porphyrin, Corrin & Complex, Steroid, Superconducting Material, Terpene, Thermoelectric Material

2023 Entries

  • Subfile – select filters related to assigned subfiles/subclass.
  • Environment – select filters related to the environment (especially temperature and pressure).
  • Atomic Coordinates – filters based on entries that contain atomic coordinates or a cross-reference to an entry with atomic coordinates.
  • Raw Diffraction Data (PD3) – filters based on entries with high quality raw experimental data that can consist of nano-crystalline materials, semi-crystalline materials, or amorphous materials.
  • Status – select filters based on the status of the pattern, which can be Primary, Alternate, or Deleted.
  • Quality Mark (QM) – select filters related to the quality evaluation assigned to the data.
  • Database – search the entire database or select the data entry source (i.e., ICDD (00) – ICDD’s experimental patterns).

Use your mouse to hover over the interactive elements in the red section of the search window and click to learn more.

Use your mouse to hover over the interactive elements in the red sections of the PDF card and click to learn more.

A Powder Diffraction FileTM (PDF) Card displays all of the scientific and bibliographic data available for a particular PDF entry and is organized into the following categories:

Temperature Series, Toolbox, Property Sheet, 2D Structure, View 3D Structure, Bond Distances/Angles, Simulated Electron Spot Pattern, Electron Backscattering Pattern, Ring Pattern, Simulated Diffraction Profile, Raw Diffraction Data (PD3)*.

  • Equipment factors
  • Historic stick pattern and simulated pattern
  • Tabular view of reported data: PDF, Experimental, Physical, Crystal, Optical, Structure, Classifications, Cross-references, References, Comments

*Note: The availability of each feature varies by PDF entry.

ICDD’s search indexing software, SIeve+ for PDF-4/Organics, is designed to search and identify unknown materials. SIeve+ is integrated into the ICDD databases to allow the use of the extensive data mining interfaces, searches, and sorts available to improve the accuracy and precision of the identification process. For example, users can utilize the extensive permutable searches in each database, then define their own search subfile or use any of the “application or expert-defined” subfiles and subclasses to increase the accuracy of their phase identification. In many cases, this provides a unique capability to analyze the most difficult problems.

SIeve+ offers a variety of algorithms and options that allow users to optimize results for particular chemistries and both standard and non-standard diffraction systems. SIeve+ features automatic rotation of the eight strongest lines (Hanawalt) or the eight longest of the strongest lines (Fink) or the eight longest lines (Long8) to look for entries that exhibit the best Goodness of Match (GOM). In the last few years, new algorithms have been added to identify non-crystalline materials and complex multi-phase specimens. Most of the algorithms were developed and optimized for a particular type of analysis and the options provide the user with a wide breadth of analytical capability. SIeve+ can be complementary to most commercial software programs. This complementary nature demonstrates the strength of SIeve+ in the analysis of minor and trace phases where the full filtering capability of the PDF-4 databases can be applied.

Want to learn more about SIeve+? Click here.

Please note: ICDD’s search-indexing software is included in PDF-2 (SIeve) and PDF-4/Organics (SIeve+) free of charge.]

  • Now FREE with PDF-4/Organics
  • Match filter algorithms – better results, more accuracy
  • Import d-I list, 1D diffraction patterns, and 2D diffraction patterns
  • Displays simulated diffraction patterns for phases in graph
  • Qualitative and quantitative analysis
  • Directly interfaces to all PDF databases for accurate filtering and analysis – full data mining
  • Excels at the identification of low concentration phases
  • Supports X-ray, synchrotron, electron, and
    neutron data
  • “Intelligent” RIR for semiquantitative analysis


“The PDF database is a must-have if you would like to serious powder data analysis.”

– Zheng Wei

“Excellent product, and great knowing all of the results have been reviewed for quality. Extensive information for each entry is far more valuable than the open-source alternative I have been using to-date.”

– Andrew Rix


Save money with a PDF-4/Organics and PDF-4+ combo site license!
Purchase a new license for PDF-4/Organics and JADE® Pro and save 15% discount with our Bundle! Learn more here or contact info@icdd.com

  • Intel® Core™ 2 Duo processors (recommended minimum), or better.
  • Supported Microsoft® operating systems
    • Windows® 7 SP1 
    • Windows® 8/8.1
    • Windows® 10
    • Windows® 11
  • 4 GB of system memory 
  • 24 GB of hard drive space

Note: It is necessary to have Administrator privileges or use the Administrator account and password for your local domain in order to install this product. You can obtain your domain by running the following command line in a Command Prompt window: ipconfig/all. Your local domain will appear next to the “Host” label.

Prior Release Requirements

2022 release

  • Intel® Core™ 2 Duo processor or better
  • Supported Microsoft® Operating Systems
    • Windows® 7 SP1
    • Windows® 8
    • Windows® 8.1
    • Windows® 10
  • NTFS File System required
  • 4 GB of System Memory
  • Installation requires 19 GB of hard-disk space

2021 release

  • Intel® Core™ 2 Duo processor or better
  • Supported Microsoft® Operating Systems
    • Windows® 7 SP1
    • Windows® 8
    • Windows® 8.1
    • Windows® 10
  • NTFS File System required
  • 4 GB of System Memory
  • Installation requires 19 GB of hard-disk space

2020 release

  • Intel® Core™ 2 Duo processor or better
  • Supported Microsoft® Operating Systems
    • Windows® 7 SP1
    • Windows® 8
    • Windows® 8.1
    • Windows® 10
  • NTFS File System required
  • 4 GB of System Memory
  • Installation requires 19 GB of hard-disk space

2018 & 2019 release

  • Intel® Core™ 2 Duo processor or better
  • Supported Microsoft® Operating Systems
    • Windows® 7 SP1
    • Windows® 8
    • Windows® 8.1
    • Windows® 10
  • NTFS File System required
  • 4 GB of System Memory
  • Installation requires 19 GB of hard-disk space

The PDF-4/Organics 2023 database contains integrated data mining software, and as a valued-added feature, a complimentary license for SIeve+, ICDD’s search-indexing software.

Explore the capabilities of PDF-4/Organics 2023 with our extensive Help documentation, online tutorials and videos. The Help files include a Table of Contents and fundamental information for users on how to use the database. Online tutorials are designed to demonstrate the features, applications, hints, and shortcuts for your PDF-4/Organics product.

ICDD InSession webinars are free to view. Enter your email, name, and affiliation to watch the most recent PDF Database webinars. Browse the sections below to see the webinar descriptions and speaker bios.

How to properly install your PDF product:

Media Available for Purchase – 
USB, DVD, or Download

Vendor Software –
ICDD partners with licensed software developers, including equipment manufacturers and independent developers to develop commercial data analysis programs that work seamlessly with our databases.

Ordering Information –
Please send us a sales order via fax, email, or mail. ICDD requires the name of the end-user on all orders. Use product codes in your order, if possible. A convenient Order/Quotation Form can be found here.

Pricing –
The prices listed herein supersede all others previously published and are subject to change without notice. ICDD reserves the right to discontinue any product at its discretion. See the Price List or contact our Customer Service Department for the most recent product information and pricing.

Return Policy – 
Products may be returned within 30 days from the invoice date for a full refund or credit (excluding shipping/handling). Products must be returned in their original condition to qualify for a refund or credit. Registered products do not qualify. Please complete a Return Merchandise Authorization (RMA) form to receive approval prior to returning the product. Defective products will be replaced promptly but must be returned for testing.

Warranty Policy –
Customers’ sole remedy for any defective Licensed Product shall be replacement of the Licensed Product, which right must be exercised by written notice given within 30 days of purchase. Defective products will be replaced promptly but must be returned for testing.

Payment Terms –
Wire transfers, credit cards (MasterCard, Visa, American Express), and checks in USD$ and drawn on U.S. banks are acceptable forms of payment. Letters of credit will not be accepted. Payment is due within 30 days from the invoice date. Finance charges of 1.5% per month (annual percentage rate of 18%) may be applied to overdue balances.

Licensing –
ICDD licenses the use of the Powder Diffraction File and software. Licensing for the PDF-2, PDF-4 product line, and associated software (SIeve and SIeve+) are packaged with the  DVD, USB, and/or dongle. ICDD’s product licenses are nontransferable and intended for use on a single computer. It is expressly prohibited to access the database over a network or access the database using desktop sharing or screen sharing software*. Please refer to the sales descriptions and product policies for further information on licensing.
*Contact ICDD for PDF-4+/Web licensing.

Site Licensing
Multi-year Licensing

Shipment –
All orders shipped by ICDD are F.O.B. Newtown Square, PA, U.S.A. Import duties and all taxes are not included in pricing and are the sole responsibility of the customer. Shipment will be made by a commercial carrier chosen by ICDD. For your convenience, shipping charges will be added to all invoices. Shipments can be insured upon request; additional charges will apply.

Orders & Delivery –
All orders are handled on a First In, First Out (FIFO) priority queue. Delivery will occur approximately 30 days on items in stock after receipt of the completed order.

Note: Customers in Japan, South Korea, and Russia must order through an ICDD licensed vendor.

Products related to PDF-4/Organics 2023:
PDF-4 Web
PDF-4 Minerals
PDF-4 Axiom
PDF-2 Logo
The Powder Diffraction FileTM (PDF®)  
Not sure which database you should purchase? Search using chemical name, formula, and elements
to find out which ICDD database product is right for you.

Call (610) 325-9814 or toll free (866) 378-9331 (US and Canada only) or email sales@icdd.com

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