The Powder Diffraction File & Related Products

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1 I N T E R N A T I O N A L C E N T R E F O R D I F F R A C T I O N D A T A The Powder Diffraction File & Related Products TM W W W. I C D D. C O M i

2 Table of Contents Scientific Products Relational Databases (contains data mining software) What s New PDF-4+ WebPDF-4+ PDF-4/Minerals PDF-4/Organics PDF-2 Preferred Computer Specifications Diffraction Analysis Software SIeve SIeve+ Printed Database Products... 9 ICDD S VISION The International Centre for Diffraction Data will continue to develop tools and support the education required for materials analyses of tomorrow. ICDD S MISSION The International Centre for Diffraction Data will continue to be the world center for quality diffraction and related data to meet the needs of the technical community. ICDD promotes the application of materials characterization methods in science and technology by providing forums for the exchange of ideas and information. ICDD databases are the only crystallographic databases in the world with quality marks and quality review processes that are ISO certified. Data Books Printed Indexes and Search Manuals Dow Polymer Collection Educational Services Specialized Workshops ICDD Clinics Educational Resource Package Denver X-ray Conference PPXRD Symposium Publications/Grant-in-Aid Grant-in-Aid Powder Diffraction Journal Advances in X-ray Analysis Customer Service Licensing Options Licensed Distributors Pricing How to Order Online Resources Visit our website: Our goal is to help you solve your material problems. We provide online publications, technical bulletins, tutorials, and videos. Many tutorials focus on capabilities of the database, but there are also general tutorials that describe methods used to analyze drugs, polymers, and minerals. The tutorial page has links to free download publications, as well as instructional videos. Our website also contains over 1,000 full publications for free download from Advances in X-ray Analysis. Our website, tutorial page, and publication pages are there to help you! ICDD, the ICDD logo, PDF, and Denver X-ray Conference and design are registered in the U.S. Patent and Trademark Office. Powder Diffraction File is a trademark of the JCPDS International Centre for Diffraction Data JCPDS International Centre for Diffraction Data. ICDD is an ISO 9001:2008 certified company.

3 THE POWDER DIFFRACTION FILE What s New! Color coded Quality Marks Most commonly used filters, available with every search page New custom PDF subfile It s Easier We changed our search display! Easier to use with several new features, including 60+ searches for powerful data mining. Dozens of searches in nested pages by topic Goodness of Match (GOM) Applied database filters Matches table, reference data Better Materials Identification Major upgrades to SIeve and SIeve+ to improve accuracy by applying custom matching filters to all search/match procedures. Radiation, wavelength, Applied matching filters Pattern display match algorithm Results, common error corrections, full pattern analysis Compare 1D or 2D Data PDF databases now support importing 2D diffraction images! In addition, 2D diffraction patterns from the database can be simulated. The simulations include crystallite size and orientation functions. W W W. I C D D. C O M 1

4 WHAT S NEW MORE CAPABILITY, MORE CONTENT IMPROVING YOUR RESULTS WITH SPECIAL PROJECTS! Special projects are collaborative efforts between ICDD members, interested scientists, and ICDD staff editors and scientists. Members and collaborators bring forth ideas and ICDD s staff puts them into practice. The goals of these collaborations are to characterize unique materials and produce reference data of interest to the global diffraction community. TOP PHARMACEUTICALS High volume commercial pharmaceuticals, not previously in the public literature, have been identified and characterized through collaborative efforts of the ICDD, Argonne National Laboratory, and Illinois Institute of Technology. This is an ongoing project. In just the last two years, >30% of all high sales volume pharmaceuticals have been analyzed at ambient temperatures. These new reference patterns are continually added to all PDF databases. View a list of materials being added to our new releases: MODULATED STRUCTURES A multi-year effort among world leading scientists has led to the development and growth of the modulated structure subfile. A structural analysis program was developed to produce up to 6-dimensional indexing, superspace group identification, and classification of modulation vectors. This project also entailed re-extracting the world s historic literature and analyzing it with our editorial program, resulting in a standardized library of reference materials. This is now an ongoing effort with annual extraction of newly discovered modulated structures. View our dancing (modulating) molecules: NANOMATERIALS ICDD has developed new methods for the analysis and editorial review of nanomaterials. We are targeting materials with particle size domains below 300 Å where we can demonstrate the crystallite size/particle size relationship. Several ICDD grantees and interested parties are providing reference data. We expect this to be a continuous effort. View a list of materials being added this year: Synchrotron diffraction pattern and crystal structure for folic acid dihydrate, PDF This entry is the result of a collaborative effort of ICDD, Illinois Institute of Technology, and Argonne National Laboratory (DOE, OBES Contract No. DE-AC02-06CH11357). Kaduk, J., Crowder, C., and Zhong, K. Crystal structure of folic acid dihydrate, C29H29N2O6(H2O)2, Powd. Diff. 30, 50 (2015). To help in the analysis of nanomaterials, all references in the PDF-4 family of databases can be converted into a digital pattern with a user-defined crystallite size (i.e., Nano). By comparison to references, a crystallite size and size distribution can be estimated. NEUTRON DIFFRACTION In 2014, we announced our neutron diffraction analysis capability based on constant wavelength neutron diffraction. In 2015, we added the ability to analyze deuterated materials and continued to produce neutron pattern references for newly discovered materials. Major additions made to the SIeve/SIeve+ analysis programs to quantify and identify materials can be applied to neutron, electron, synchrotron, and X-ray data. Nano zinc oxide, PDF , with evidence of a small angle peak at 35 Å. The insert shows the experimental data (red) and simulation (black) with a 40 Å (4 nm) crystallite size. Specimen and data courtesy of Eastman Kodak Company. Four phase identification of mixed oxides powder sample. Neutron diffraction data (red) were collected at Oak Ridge National Laboratory (ORNL) courtesy of P. Whitfield. Analysis performed using PDF-4+ and SIeve+. RIR analysis using I/Ic values provides estimated weight percent of each phase. 2 INTERNATIONAL CENTRE FOR DIFFRACTION DATA

5 PDF IDENTIFY AND QUANTITATE PDF contains 365,877 entries. It combines the world s largest sources of inorganic diffraction data from crystals and powders into a single database. The result is a comprehensive collection of inorganic materials, produced in a standardized format that can be rapidly searched for unknown phase identification. Extensive data mining is facilitated with our 116 display fields coupled with >60 searches. PDF-4+ is designed to support automated quantitative analyses by providing key reference data required for these analyses. It also contains an array of tools that supplement conventional analyses, such as a full suite of data simulation programs enabling the analysis of neutron, electron, and synchrotron data, in addition to conventional X-ray data. PDF-4+ features digitized patterns, molecular graphics, and atomic coordinates. These features have been incorporated into PDF-4+ to enhance the ability to do quantitative analysis using third party software by any of three methods: Rietveld Analysis, Reference Intensity Ratio (RIR) Method or Total Pattern Analysis. KEY FACTS AND FIGURES Identify Number of entries 365,877 New entries 11,613 Quantify Calculated Digital Patterns 365,877 Reference Intensity Ratio (I/Ic) 268,838 Entries with Atomic Coordinates 251,640 Experimental Digital Patterns 9,964 Data Mining Search Selections 65 Display Fields 116 Database ICDD Powders (00), ICSD (01) Sources (5) NIST(03), MPDS (04) and ICDD Single Crystal (05) Select Subfiles Metal & Alloys 134,287 (out of 30) Mineral & Related Materials 42,852 Ceramics 14,094 Common Phases 21,189 KEY POINTS Indentify: Rapid, accurate phase ID with 365,877 phases Quantify: Digital patterns, atomic coordinates, I/I c Reference Intensity Ratio Combines powder and single crystal data Combines crystalline, semi-crystalline and amorphous solid state materials World s largest and most diverse collection of structures for inorganic materials Ring Pattern Preferred Orientation 001 orientated Narrow dispersion (width = 0.01) 001 orientated Broad dispersion (width = 0.1) PDF-4 PRODUCTS 400,000 PDF-4+ ENTRIES WITH STRUCTURES ENTRIES 300, , , PDF-4+ Atomic Coordinates RELEASE YEAR Ring patterns can now be displayed as uniaxial oriented, in addition to random orientation. 3

6 PDF-4 PRODUCTS WebPDF DATA WHEN AND WHERE YOU WORK WebPDF-4+ provides portability to the PDF-4+ database via the internet. It enables access to the entire suite of programs and data files, so that it is equivalent to PDF WebPDF-4+ can be used on any computer that meets the specifications and has access to a high-speed internet connection (see Preferred Computer Specifications). WebPDF-4+ is delivered as a USB compatible dongle, which supplies an access key to PDF-4+. There is no need to work with a CD or DVD. The dongle is programmable, so that installation and renewals are handled via the internet. WebPDF-4+ requires that you have access to a high-speed internet connection. Your organization/site must permit TCP/IP communication ports to be opened through any firewalls. Currently, WebPDF-4+ is compatible with the majority of third party software packages, especially software versions produced in recent years. You will need to check with your third party software vendor to ensure that their software can interface to WebPDF-4+. PDF-4+ is a large database with a complex database structure. Capability and speed can be severely compromised if you are not accessing a high-speed internet connection. How is WebPDF-4+ priced? WebPDF-4+ is priced identically to PDF-4+. WebPDF-4+ can be used with site licenses or multi-year licenses. Users can also convert their PDF-4+ or PDF-2 license to WebPDF-4+ using our conversion pricing. How is WebPDF-4+ licensed? WebPDF-4+ is licensed for 12 months. Yearly renewals are required. How do I register my license for WebPDF-4+? The dongle must be registered at the licensee s main address or home base. In other words, the registration must be completed at the end user s organization. Registration must also be in accordance with the end user information (name of end user, organization, address) that was received at ICDD for the initial license purchase. How will my license renewal be handled the following year? All PDF-4 products are handled through an automatic subscription service. ICDD will bill you for the new release of your WebPDF-4+ product based on the anniversary of your original invoice date for the license. For instance, if you purchased your initial license for WebPDF in September 2014, ICDD will bill you for WebPDF renewal in September Your license renewal and registration will be handled via the internet, similar to your initial registration. You will be required to download new software, and register your product with each new release of the WebPDF-4+. Where can the WebPDF-4+ dongle be used? The WebPDF-4+ can be used on any computer that meets the specifications and has access to a high-speed internet connection (see Preferred Computer Specifications). You will need to install the software on each computer that you will be using to access the database. The dongle will validate each login after registration. The dongle must always be present on the computer that you will be using to access the database. Access is granted to WebPDF-4+ only from a local computer. The dongle cannot be used on a server. POWDER DIFFRACTION DATABASES PREFERRED COMPUTER SPECIFICATIONS HARD DISK SPACE REQUIREMENTS: PDF PDF WebPDF PDF-4/Minerals 2015 PDF-4/Organics 2016 Intel Core 2 Duo processor or better 4 GB 9 GB 0.5 GB 1.5 GB 19 GB Supported Microsoft Operating Systems: Windows Vista (32-bit) SP2 Windows 7 SP1 Windows 8 Windows 8.1 NTFS file system required 4 GB System memory Web PDF requires fullypowered USB port, 32-bit Internet Explorer 11.0 or 32-bit Firefox , and ability to open TCP/IP ports through any existing firewalls. Browser must allow Java and scripts to execute. Connectivity speed should be at least 10.0 Mbps or higher. 4 INTERNATIONAL CENTRE FOR DIFFRACTION DATA

7 PDF-4/Minerals 2015 IDENTIFY AND QUANTITATE PDF-4/Minerals is the most comprehensive collection of mineral data in the world! Ninety-seven percent of all known mineral types, as defined by the International Mineralogical Association (IMA), are represented in the database, as well as many unclassified minerals. There is a very wide selection of chemical variants within mineral species as shown by the 19,802 unique empirical formulas in the collection. Our database demonstrates the benefit of having combined data from several different databases. Due to focused editorial efforts in bibliographic searching, editorial review, and classification, the mineral collection has more than doubled from 17,826 entries in release 2005 to 42,852 entries in release All data are statistically analyzed, then peer-reviewed by an editorial task group of ICDD scientist members, who are also mineralogists. Minerals are classified by IMA designations of family, class and subclasses, Pearson symbols, and prototype structures. All mineralogical zeolites are similarly classified using International Zeolite Association guidelines. KEY POINTS Quantify: Digital patterns, atomic coordinates, I/I c Reference Intensity Ratio World s largest collection of minerals and mineral polytypes PDF-4 PRODUCTS KEY FACTS AND FIGURES Identify Number of entries 42,852 New entries 1,429 Quantify Calculated Digital Patterns 42,852 Reference Intensity Ratio (I/I c ) 31,857 Entries with Atomic Coordinates 30,684 Experimental Digital Patterns 119 Data Mining Search Selections 65 Display Fields 116 Database ICDD Powders (00), ICSD (01) Sources (5) NIST(03), MPDS (04) and ICDD Single Crystal (05) Select Subfiles Natural Minerals 21,396 or subclass Synthetics 14,683 (out of 26) Zeolites 3,573 Galena, Quartz, Pyrite & Calcite from Peru 5

8 PDF-4 PRODUCTS PDF-4/Organics 2016 SOLVE DIFFICULT PROBLEMS, GET BETTER RESULTS PDF-4/Organics 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, biomaterials, and forensic fields. 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. We not only extract from the public literature like other databases, we add 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. KEY FACTS AND FIGURES Identify Number of entries 501,964 New entries 6,998 Quantify Calculated Digital Patterns 501,964 Reference Intensity Ratio (I/Ic) 470,261 Entries with Atomic Coordinates 82,856 Experimental Digital Patterns 5,419 Data Mining Search Selections 64 Display Fields 95 Database ICDD Powders (00), ICSD (01), Sources (5) CSD (02),NIST(03), and ICDD Single Crystal (05) Select Subfiles Pharmaceuticals 10,780 (out of 31) Excipients 2,667 Forensics 11,569 Common Phases 7,722 KEY POINTS Combines crystalline, semicrystalline, and amorphous solid state materials Combines powder and singlecrystal data World s largest collection of pharmaceuticals, excipients and polymers SIeve+ included as an added value Enhanced identification for crystalline, nano, and amorphous materials Carvedilol (Coreg) is used to treat heart failure and hypertension. The pattern was taken from a crushed tablet containing α lactose monohydrate (excipient) and Carvedilol. 6 INTERNATIONAL CENTRE FOR DIFFRACTION DATA

9 PDF QUALITY + VALUE How good is your database? We know that any database can get you an answer, but is it the right answer? Be confident with PDF-2. It is designed to get you the right answer with the most cost effective license. PDF is designed for rapid and accurate phase identification with 278,503 entries. It combines the power of both powder diffraction and crystal structure reference data from the ICDD, ICSD, and NIST database sources. This combination results in a globally sourced database containing extensive collections of inorganic, mineral, and metals and alloys data. All data are reviewed, edited and standardized prior to PDF-2 publication. This standardization process is especially important due to the large number of sources used for the database. The PDF-2 database is licensed for five (5) years, with one free option to extend the license for a consecutive additional five (5) years. The PDF-2 database offers the highest value in the global marketplace. This value is due to its low annual cost amortized over the lifetime of the license, combined with its large content of powder and crystal structure reference data, and its high level of quality with embedded software for data mining. Quality and subfile filters combined with >50 different searches and 48 display fields enable you to target your results for more accurate identification. The database is not just a collection of numbers; it is a sophisticated data analysis tool. KEY FACTS AND FIGURES Identify Number of entries 278,503 New entries 4,060 Quantify Reference Intensity Ratio (I/Ic) 181,464 Data Mining Search Selections 61 Display Fields 48 Database ICDD Powders (00), ICSD (01), Sources (4) NIST(03), and ICDD Single Crystal (05) Select Subfiles Metal & Alloys 94,379 (out of 30) Mineral & Related Materials 33,623 Ceramics 11,339 Common Phases 15,339 KEY POINTS Rapid Identification Value 5 Year license Combines powder and single-crystal data PDF-2 CUSTOM SETS OF PDF ENTRIES USED FOR DATA MINING, DISPLAY, AND ANALYSIS 7

10 SUPPORT SOFTWARE SIeve/SIeve SEARCH AND IDENTIFY ICDD s search indexing programs, SIeve for PDF-2 and SIeve+ for PDF-4, are designed to search and identify unknown materials. SIeve and SIeve+ are integrated into the ICDD databases to allow the use of the extensive data mining interfaces, searches, and sorts available to improve 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 and SIeve+ offer a variety of algorithms and options that allow users to optimize results for particular chemistries and both standard and non-standard diffraction systems. SIeve and 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. Since the fundamental algorithms used by SIeve and SIeve+ are different than those used by most commercial software programs, they can be strongly complementary. This complementary nature demonstrates the strength of SIeve/SIeve+ in the analysis of minor and trace phases where the full filtering capability of the PDF-2 and PDF-4 databases can be applied. Try SIeve or SIeve+ for a free 30-day trial after you install your database and discover its phase identification capability. At the end of the 30-day trial period, contact ICDD or your vendor for a license. KEY POINTS New match filter algorithms better results, more accuracy 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 semi quantitative analysis NEW for SIeve+ (PDF-4 product line): Import 2D diffraction (ring) patterns from an image file Smart I/I c Substitution dynamically uses crossreferenced I/I c values directly in the Matches table Background removal Smoothing Kα2 stripping Peak finding 8 INTERNATIONAL CENTRE FOR DIFFRACTION DATA

11 1. Integrating a 2D diffraction (ring) pattern to a 1D diffraction pattern 2. Processing the converted 1D diffraction pattern to a peak list for phase ID SIeve+ SIeve OPTIMIZED FOR: (PDF-4 products) (PDF-2 product) X-ray diffraction a a Neutron diffraction a Electron diffraction a CAPABILITIES: Import experimental data from a a all major XRD hardware and software manufacturers Expert-defined filters for improved accuracy a a Graph phases as stick patterns a a Graph phases as simulated profiles a Semi-quantitative analysis (weight %) a Analyze semi-crystallite and amorphous a materials using total pattern analysis Export structure data as CIF s for Rietveld refinement Complements other phase identification a a software packages a Printed Books, Indexes & Search Manuals Data Books Set 65 of the Powder Diffraction File, in book form, contains PDF card images for 1,515 new experimental patterns. Previous sets are also available in book form. ICDD s printed indexes and manuals allow for searches and identification of approximately 97,970 phases determined from experimental data in the Powder Diffraction File (Sets 1 65). For PC users, ICDD offers an electronic alternative, SIeve and SIeve+ search/match software for all entries in the PDF. Alphabetical Indexes (Inorganic Phases) Highlights 69,541 phases Phases sorted by chemical name and chemical name fragments Lists three strongest lines, formula, quality mark and PDF number for each entry Minerals indexed by mineralogical name and classification Indexes of Cements, Common Names, Explosives, Zeolites, and Metals & Alloys Hanawalt Search Manual (Inorganic Phases) Highlights 69,541 phases Manual identification of unknown phases using the Hanawalt Method Uses d-spacings of the three most intense lines for searches Overlapped data for experimental error allowance Organic & Organometallic Phases Highlights 32,685 phases Hanawalt Index, Alphabetical Index, Organic Formula Index, Common Names Index Dow Polymer Pattern Collection This soft cover publication is distributed under agreement with the Dow Chemical Company. It offers more than 150 polymers, reproduced in the form of diffractometer traces, collected from the research laboratories of the Dow Chemical Company. The pattern collection includes a wide range of common commercial polymers. SUPPORT SOFTWARE & PRINTED PRODUCTS 9

12 SMART DATABASES SMART DATABASES The Powder Diffraction File (PDF) is the only crystallographic database that is specifically designed for material identification and characterization. It is an analysis system that is comprised of crystallographic and diffraction data. These data with embedded data mining and analysis software have been through a quality and classification editorial review system. Release 2015 of the PDF contains 815,000+ unique material data sets. Each data set contains diffraction, crystallographic and bibliographic data, as well as experimental, instrument and sampling conditions, and select physical properties in a common standardized format. The PDF databases are designed to solve your material problems. The PDF is produced in several different formats in order to serve different groups of users. PDF-2 is a collaborative product between ICDD, FIZ, and NIST. It is designed for inorganic materials analyses. Many common organic materials from ICDD are added to this database to facilitate rapid material identification. PDF-4+ is our most advanced database, designed for both phase identification and quantitative analysis. This database has comprehensive material coverage for inorganic materials and it contains numerous additional features such as digitized patterns, molecular graphics, and atomic parameters. Features to enhance the ability to do quantitative analysis have been incorporated into PDF-4+. WebPDF-4+ provides the needed portability for accessing the PDF-4+ database via the internet. It enables full functionality of the PDF-4+ database using a high-speed internet connection. WebPDF-4+ is delivered as a USB compatible dongle. PDF-4/Minerals is the most comprehensive collection of mineral data in the world! Ninety-seven percent of all known mineral types, as defined by the International Mineralogical Association (IMA), are represented in the database, as well as many unclassified minerals. PDF-4/Minerals is a subset of the PDF-4+ database, which includes all of the software features incorporated into PDF-4+. PDF-4/Organics is a highly targeted database with the world s largest collection of pharmaceutical excipients and polymer materials. It is designed for a multitude of applications in pharmaceutical, regulatory, specialty chemical, biomaterial, and forensic fields. The product has all of the display software and data mining capabilities contained in the PDF-4 family of products. Printed Books and Indexes include ICDD s experimentally collected diffraction patterns and search manuals. These materials have been produced annually for 65 years, and are commonly used as reference books. S M A R T Standardized data More coverage All data sets are evaluated for quality Reviewed, edited and corrected prior to publication Targeted for material identification and characterization Collaborative Partners You get the best of both worlds by combining a powder database with a single crystal database into a single product! Single crystal data and experimental powder data can be very complementary in powder diffraction analyses. Our collaborative partners include: Fachinformationszentrum Karlsruhe (FIZ) Karlsruhe, Germany Inorganic Crystal Structure Database (ICSD) National Institute of Standards and Technology (NIST) Gaithersburg, Maryland Material Phases Data System (MPDS) Vitznau, Switzerland Linus Pauling File (LPF) PDF PDF-4/ PDF-4/ PDF WebPDF Minerals 2015 Organics 2016 Total No. of Datasets 278, ,877 42, ,964 Inorganic 246, ,380 42,795 25,958 Organic 39,831 40, ,735 New Entries 4,060 11,613 1,429 6,998 No. with atomic coordinates 0 251,640 30,684 82,856 Reference Intensity Ratio I/I c 181, ,838 31, ,261 Experimental Digital Patterns 0 9, ,419 Calculated Digital Patterns 0 365,877 42, ,964 Searches Display Fields INTERNATIONAL CENTRE FOR DIFFRACTION DATA

13 PDF Databases WHY WE ARE THE BEST! MORE DATA, HIGHER QUALITY, MORE CONTENT, ALL TYPES OF SOLID STATE REFERENCE DATA The world s largest solid state collections of minerals, metals and alloys, polymers, active pharmaceuticals, and commercial materials Target your identification, get more accurate results using materials classified by chemistry and application by using the PDF s extensive subfile system WHICH DATABASE? The world s largest and most diverse (by formula) collection of inorganic structures The world s largest collection of modulated structures Extensive bibliographic collections thousands of journals, hundreds of thousands of authors Standardized data, nomenclature, and structural classifications plus brand names, trade names, mineral names, zeolite names, and common names of commercial materials Which Database? Web PDF-4/ PDF-4/ PDF-2 PDF-4+ PDF-4+ Minerals Organics I am working primarily with inorganic compounds a a a a I am working primarily with organic compounds a I am working primarily with minerals a I work with Electron Diffraction/Synchrotron a a a a I need to work at the office and home a I need to do quantitative analysis Rietveld a* a* a* a* Reference Intensity Ratio (RIR) a* a a a a Pattern Fitting a a a a I need a database with atomic coordinates a a a a How many entries are in the database? 278, , ,877 42, ,964 How many entries are new? 4,060 11,613 11,613 1,429 6,998 I am using vendor software for my analysis. Which databases will work with my vendor software? a a a a a Global software vendors provide search/match software that interfaces with our databases. You need to check with your software vendor for compatibility. What is the license term for the database? 5 years 1 year 1 year 1 year 1 year Multi-year license available a a a a a Site license available a a a a Need more facts and details? *Using third party software Capabilities and content: Technical Bulletins:

14 SCIENTIFIC SUPPORT ACTIVITIES & PRODUCTS Education ICDD offers a variety of educational products designated to teach and instruct both the new and experienced user. ICDD Clinics boast a high instructor-tostudent ratio. Our group of experienced instructors with diverse scientific backgrounds enables the attendees to receive a blend of both theory and results-oriented practical experience. The weeklong format provides in-depth training not offered in most other workshops and symposia SPECIALIZED WORKSHOPS Rietveld Refinement & Indexing: Basic & Advanced 28 September 2 October Learn the principles and techniques of Rietveld analysis at this specialized workshop. Attendees have the option of taking the three-day basic workshop, the two-day advanced workshop or both together for a full week of hands-on training. Participants must take, or have taken in the past, ICDD s basic Rietveld workshop as a prerequisite for attending the advanced workshop. This workshop introduces the theory and formalisms of various indexing methods and structural refinement techniques. One unique aspect of this workshop is the extensive use of computer laboratory problem solving exercises that teach method development in a hands-on environment. NEW! POLYMER DIFFRACTION October This three-day workshop is designed to provide more in-depth understanding of Polymer Diffraction. Learn the basics of XRD, polymer structure, morphology and diffraction data collection, polymer crystallinity, diffraction peak shape analysis, orientation analysis, small-angle scattering, special methods and advanced techniques XRD & XRF CLINICS Practical X-ray Fluorescence April 2016 Fundamentals of X-ray Powder Diffraction May 2016 Advanced Methods in X-ray Powder Diffraction May 2016 Learn methods to improve your analysis, specimen preparation techniques, qualitative and quantitative phase analysis, types and sources of error, computer methods, and instrumentation through concise lectures and workshops. In pursuit of its dynamic commitment to education, ICDD offers a limited number of tuition waivers for the clinics on X-ray powder diffraction and the clinic on X-ray fluorescence spectrometry. FREE Databases for Classroom Instruction ICDD offers free PDF-4+ databases for educators teaching courses in X-ray diffraction (note: shipping charges will be billed to the educator). Educators will receive full access to the PDF-4+, which includes our imbedded data mining software and search indexing software, SIeve+. Access is time-limited and password protected (in some cases) based on the length of the course. Worked examples that utilize many database features are provided in the Educational Resource Package. Please contact [email protected] for further information. On-site XRF & XRD Training Solutions ICDD can customize our leading edge educational clinics to meet the X-ray fluorescence or powder diffraction training needs of your employees. For over 15 years, the ICDD has provided training to the world s most renowned corporations, academic institutions and government agencies. With on-site training, you will have the advantage of our faculty members dedicated attention, addressing the specific needs of your staff all while working hands-on with your instrument. A minimum of six attendees is required for this service. Educational Resource Package ICDD s Educational Resource Package is designed to be used individually, or in combination, as an effective teaching tool for powder diffraction pattern identification. The threevolume softcover set includes Using the Powder Diffraction File, the Education Databook, and the Educational Indexes. The student workbook, Using the Powder Diffraction File, contains descriptive materials, worked examples and problem sets covering various disciplines employed in powder diffraction pattern identification. (The Instructor s Guide is available upon request.) The Education Databook contains approximately 1,000 data sets of selected patterns from the PDF, specifically chosen for teaching purposes. The workbook covers various methods used in identification of unknown phases and refers to this subset of the Powder Diffraction File. The Educational Indexes are a combined Alphabetical, Hanawalt and Fink Method search manual for use as part of the Educational Resource Package. 12 INTERNATIONAL CENTRE FOR DIFFRACTION DATA

15 65th Annual Denver X-ray Conference (DXC) 1 5 August 2016 Westin O Hare Hotel Rosemont, Illinois USA 14 Pharmaceutical Powder X-ray Diffraction Symposium Calling all Professors and Research Advisors mentor a student at DXC! The Denver X-ray Conference offers great incentives for students (including post docs) to attend the conference. Students can receive all the benefits the conference has to offer at a low cost, including: Reduced Registration, Reduced Student Housing, Robert L. Snyder Student Travel Award, Jerome B. Cohen Student Award, Best Student Poster Award, and a Student Lunch. Advances in X-ray Analysis The Proceedings of the Denver X-ray Conference have been captured on CD in the volumes of Advances in X-ray Analysis. Over 58 years of history and experience are included in the 3,245 articles from experts in the fields of X-ray analysis. Each volume contains that year s full proceedings plus a cumulative searchable author and subject index from each Denver X-ray Conference proceedings since A cumulative volume, Volumes 1 39, features page images of all the manuscripts from the Denver X-ray Conference from Individual volumes (40-58) are available on CD for each of the Proceedings from 1996 to The 2015 volume (59) will be available in Summer Note: Individual papers from Volumes are available for free download on our website: resources/axasearch_based_on_vol.asp The CD is accessible in the Windows, UNIX /Linux and Macintosh environments. Hyperlinks to the Adobe website are provided in the setup file should you need to install the free Adobe Reader software. This annual symposium is designed to create a forum for the exchange of knowledge and cutting-edge ideas among those interested in the combined fields of XRD and pharmaceutical sciences. PPXRD will also include a workshop on practical applications of X-ray analysis in the study of pharmaceutical materials. Topics will include patent and regulatory issues, formulation, product development, drug delivery, polymorphs, amorphous and nanomaterials, complementary techniques, and much more. View the Top 20 Presentations from PPXRD, plus more June 2016 Sanibel Harbour Marriott Fort Myers, Florida, USA W W W. I C D D. C O M 13 SCIENTIFIC SUPPORT ACTIVITIES & PRODUCTS Denver X-ray Conference DXC is the world s largest annual conference dedicated to the fields of X-ray analysis. Experts in the fields of X-ray diffraction and X-ray fluorescence gather for a week of workshops, technical sessions, and manufacturers exhibits. DXC attendees will have access to sessions on the latest advancements in XRD and XRF. Workshops are run by experts who provide TRAINING and EDUCATION on many PRACTICAL APPLICATIONS of X-ray fluorescence and X-ray diffraction techniques for the study of materials. Designed to help attendees (with little or many years of experience), our workshops will solve some of their most difficult problems. As an added benefit, these experts will be available to answer questions and offer suggestions. Have your work published! Don t miss the opportunity to showcase your research during DXC by submitting your presented paper in the conference proceedings, Advances in X-ray Analysis. Work presented during either an oral session or poster session is eligible for submission.

16 LICENSING Powder Diffraction Powder Diffraction (PDJ), ICDD s international journal, is published by Cambridge University Press. PDJ is published quarterly plus an annual special topical issue. Beginning in 2013, authors have been published online shortly after their approval of the manuscript proof via FirstView on Cambridge Journals Online (CJO). Since 2006, ICDD in collaboration with the Denver X-ray Conference Organizing Committee, has provided a copy of the previous year s edition of Advances in X-ray Analysis (AXA) to Institutional Print/Online subscribers of PDJ. This effectively doubles the number of articles annually available to PDJ subscribers and significantly increases the circulation for the authors in Advances in X-ray Analysis. In December 2014, the Australian X-ray Analytical Association (AXAA) Proceedings were published as well as a special online only XRD Software Issue. This software issue is available for free online until December In June 2015, PDJ also published the 14th European Powder Diffraction Conference Proceedings (EPDIC14). Subject coverage includes: Techniques and procedures in X-ray powder diffractometry Advances in instrumentation Study of materials including organic materials, minerals, metals and thin film superconductors Publication of powder data on new materials TO SUBSCRIBE PLEASE CONTACT: Cambridge University Press 100 Brook Hill Drive West Nyack, NY phone: toll free: fax: [email protected] 30 th Anniversary SUBSCRIPTION RATES (USD$)* INSTITUTIONAL Print/Online $300 $345 Online $199 $217 INDIVIDUAL Print/Online $165 $190 Online $121 $132 STUDENT $35 $35 * Contact Cambridge University Press for pricing outside U.S. and Canada. Grant-in-Aid Program Join ICDD s elite group of scientists who contribute experimental powder diffraction patterns to the Powder Diffraction File. AS A MEMBER OF THIS ELITE GROUP, YOU WILL RECEIVE THE FOLLOWING BENEFITS: Financial support to aid current research Publication of pattern(s), if accepted by the Editorial Department, in the Powder Diffraction File Receive calibration standards Purchase certain ICDD products at reduced prices Web-based access to the list of compounds in the ICDD master database includes published patterns, as well as patterns still in the editorial process First-time grantees receive a complimentary one-year subscription to Powder Diffraction For over 50 years, ICDD has supported a well-developed program of grants to researchers around the world. One of our main objectives is to expand the range of reference materials by producing and cataloging high-quality diffraction patterns in our internationally renowned database, the Powder Diffraction File. Thanks to the longevity of this program, these contributions account for approximately a quarter of the current experimental file. ICDD awards financial support to qualified investigators in the form of Grant-in-Aid on a competitive proposal basis. The duration of a grant is 12 months with two cycles per year. Cycle I begins 1 April and Cycle II begins 1 October. Geographic Locations of Grants for the Past 15 Years: Argentina Netherlands Austria P.R. of China Canada Poland Chile Portugal Columbia Russia Czech Republic Spain France Switzerland Germany Taiwan India Tunisia Israel Ukraine Italy United Kingdom Japan United States Malaysia Uruguay Total Proposals Funded for the Past Fifteen Years: INTERNATIONAL CENTRE FOR DIFFRACTION DATA

17 Licensing ICDD databases and software products are licensed for use on a single PC. Database and software licenses grant end-users a limited, nonexclusive and nontransferable license to access the contents of the product for personal or internal business purposes; and to download such contents on the hard drive of a single computer, as needed, to facilitate data processing. It cannot be installed, accessed or displayed on more than one PC without purchasing additional licenses. It is expressly prohibited to access the database over a network, or access the database using desktop sharing or screen sharing software. License terms vary by product. Please see page 6 in this catalog for information on WebPDF-4+ licensing. It is recommended that all ICDD databases be installed and registered within the first 30 days after product purchase and receipt of product. This will insure that your database license will correspond closely with your product subscription. Please note that your product subscription is based on the month of the original invoice; not the date of the license registration key. Database License Term: This is the amount of time available for access to the purchased database (see License terms). Registration License Key: The license key is issued on the date of registration and will allow access to the database in accordance with the purchased product license term. Product Subscription: The PDF-4 product line, as well as all database site and multi-year licenses are serviced by subscription. All subscriptions are based on the original invoice date. This means that PDF-4 renewals, site licenses, and multi-year licenses are due on the month of the original invoice. For example, if your original invoice was in May 2015, then your renewal will be due in May PDF-2: The initial term of the license for PDF-2 and SIeve is five (5) years from the license registration key date. At the end of your five (5) year license term, you will have two options for your license. Option 1: Purchase a license for the current release of the PDF-2, SIeve, or PDF-4+. Option 2: Extend your original license for one additional consecutive five (5) year term, free of charge, provided that the licensed user has the same organization name and address (i.e., the registered user), and the product license has not been previously renewed or converted to a PDF-4+ product. LICENSE TERMS Product PDF-2 SIeve PDF-4 products* SIeve+* License Term 5 years 5 years 1 year 1 year *Serviced by subscription featuring automatic annual renewals. For further licensing information, please visit: licenses/index.htm Visit our Product & Registration Tutorials site: resources/tutorials LICENSING All PDF-4 products are licensed for one (1) year. ICDD offers a subscription service that provides automatic renewals for your PDF-4 products. Prior to the expiration of your license, ICDD will automatically invoice and ship your PDF-4 renewal based on your original invoice date. Product License Policies Academic Pricing Policy An academic price is awarded to degree-granting (Assoc., B.S., M.S., Ph.D.) institutions. The name of the institution must appear on the degree in order to qualify for the academic pricing. Institutions may be required to submit documentation to verify eligibility. Please consult ICDD s price list for eligible products. Site License Policy ICDD s Site License Policy is designed for a multiuser laboratory to facilitate multiple licenses of the PDF-2 or PDF-4 databases at a single site. A single site is defined by the building where the database will be installed. Multiple users in different buildings need to purchase separate site licenses for each building. A site license includes the purchase of a Master License, plus the purchase of Secondary Licenses (discounted additional licenses). Site licenses are no longer limited to 10 database licenses. The site is still determined by a building; however, customers can now purchase an unlimited number of additional licenses at discounted pricing. The number of licenses is determined by the number of computers that will be running the database. ICDD requires that the Master License and all Secondary Licenses be purchased concurrently on a single purchase order. ICDD does not offer licensing for local servers or networks. Site License Renewals In order to take advantage of the site license renewal pricing, both the Master License and the Secondary Licenses of the database must be renewed yearly. To renew a site license, ICDD requires that the Master License and all Secondary Licenses be purchased concurrently on a single purchase order. Single License Site License Customers with a single license may add additional licenses to create a site. To qualify for additional license pricing, the single license must be current. If necessary, customers may need to renew their single license to the current release, then add additional license to create the site. Adding Licenses to a Site In order to add additional licenses to an established site, all database licenses in the site (Master and Additional) must be updated to the current release. Customers will need to purchase the current release as new, or renew their existing license. PDF-4/Minerals is not eligible for site licensing. Site and multi-year site licenses for PDF-4/Organics cannot be combined with other PDF databases. 15

18 LICENSING Licensing (Continued) Combo Site License Subscription ICDD offers a combination site license that allows for multiple licenses of the PDF-2 or PDF-4 databases at a single site. The combo site license is serviced by subscription with yearly automatic renewals based on the anniversary of the original invoice date for the PDF-2 or PDF-4 databases. ICDD will automatically bill and ship renewal licensed products as specified in ICDD s then current price list. Multi-year Site License In response to customer requests, ICDD offers multi-year site licenses. The multi-year site license is offered as a convenience to our customers using site license pricing. This license is serviced by subscription and is available for a PDF-2 site, a PDF-4+ site, a WebPDF-4+ site, a combo PDF-2/PDF-4+/ WebPDF-4+ site, or a PDF-4/Organics site. Multi-year License Policy To assist customers with their yearly renewals, ICDD offers multi-year licenses that allow you to prepay for future renewals. The multi-year license renewal pricing provides savings on yearly license renewals, along with fixed pricing on the renewal for the purchased license term. Multi-year pricing is available for PDF-2, PDF-4+, WebPDF-4+, and PDF-4/ Organics. If the price for these products increases during your multi-year license period, you will not be billed the difference. Multi-year license renewal pricing for PDF-4/Minerals, SIeve, and SIeve+ is offered as a convenience to our customers. It is not subject to the discount offered with our other multi-year licenses. Please contact ICDD for further information. To purchase a multi-year license, users need to purchase the current release of the PDF new, or renew their license to the present release using the current prices. Users may then purchase additional years for their license. All shipping charges will be billed on the original invoice. The multi-year license is serviced by subscription with yearly automatic renewals based on the anniversary of the original invoice date for both the PDF-2 and PDF-4 databases. For each year in your multi-year license, you will receive the newest release of your PDF product. You will need to install and register your new product for each release. Since ICDD s search-indexing software (SIeve and SIeve+) is linked to the PDF-2 and PDF-4 release year, customers utilizing this software are encouraged to purchase a multi-year license for the software along with their multi-year license for the database. The multi-year license for SIeve and SIeve+ is serviced by subscription as described in the paragraph above. Check with your software vendor annually to confirm software compatibility when purchasing a multi-year license. PDF-4+Scholar Multi-year License for Academics PDF-4+Scholar is an incentive available solely for our academic customers who qualify under ICDD s academic license policy. PDF-4+Scholar is a five (5) year multi-year license package for PDF-4+, which includes a license for SIeve+. It is identical to PDF-4+ in content and capability. The difference is in the licensing terms the PDF-4+Scholar Package offers one extended license term of five years on the last product release in the multi-year license. The PDF-4+Scholar Package is available on CD or DVD. Customers will need to purchase the current release of PDF-4+ and SIeve+ in order to purchase the PDF-4+Scholar Package. Customers with a current release of the database will only need to purchase the PDF4+Scholar Package. Like all PDF-4 products, the PDF-4+Scholar Package is handled by automatic subscription. Your yearly automatic renewals will be shipped based on the anniversary of the original invoice for the PDF-4+Scholar Package. For each year in your PDF-4+Scholar multi-year license, you will receive the newest release of the PDF-4+. The last release in the package will be the PDF-4+Scholar product, which is licensed for five years. Product warranty is on the preferred computer specifications associated with the product release. If you need to change your computer specifications, ICDD recommends that you reference the ReadMe.txt or product insert for your product release to check for compatibility. For more information, please visit: Installation & Registration ICDD databases require registration to comply with the legal requirements of our collaborative agreements. When renewing your PDF license, ICDD recommends that you contact ICDD or your software vendor to determine your data analysis software requirements. ICDD products (PDF-2, PDF-4+, PDF-4/Minerals, PDF-4/Organics, SIeve and SIeve+) are automatically activated for a temporary license period (30 days) with the initial installation. Users are required to register their database and/or software in order to obtain a full license from ICDD to extend beyond 30 days. The integrated registration software will guide users through the registration process. The registration information may then be sent to ICDD by the web (preferred), , fax or mail. When ICDD receives the registration information, a registration key for the full license will be created and sent to the user. A registration key will be issued within 48 hours (Monday through Friday) of receipt of the registration information. If you have not heard from us within 48 hours, kindly fax us your registration ( ) noting that it is a second request or call us at Contact ICDD for WebPDF-4+ registration information. 16 INTERNATIONAL CENTRE FOR DIFFRACTION DATA

19 ICDD Licensed Distributors ICDD works with a global network of licensed distributors to provide ICDD products throughout the world. Our network includes equipment manufacturers, regional distributors, and licensed software developers who program commercial data analysis programs that work seamlessly with our databases. Distributors frequently offer additional services such as state-of-the-art X-ray analysis hardware, sophisticated custom software integration, and regional support services. Many equipment manufacturers have offices worldwide, while regional distributors may represent several countries. Please visit their websites for a complete list of their local offices. Customers in Japan, South Korea and Russia must order ICDD products through an ICDD licensed vendor. ARGENTINA M & A SRL [email protected] t: f: AUSTRALIA AXT Pty Ltd [email protected] t: f: BANGLADESH E.K. Business Line [email protected] t: f: Overseas Marketing Corp [email protected] t: f: BOLIVIA Arellano Limitada [email protected] t: f: BRAZIL DAIRIX Equipamentos Analíticos Ltda. [email protected] t: f: Targetware Informatica Ltda [email protected] t: f: CANADA PROTO Mfg. Ltd. [email protected] t: f: Tasker Applications [email protected] t: f: COLOMBIA Andina de Tecnologias SAS [email protected] t: f: GLOBAL DISTRIBUTORS BRUKER AXS GMBH EDAX INC. GBC SCIENTIFIC EQUIPMENT GE SENSING & INSPECTION TECHNOLOGIES GNR SRL HUBER DIFFRACTION GmbH & Co. KG INEL INSTRUMENTATION JORDAN VALLEY SEMICONDUCTORS LTD. PANALYTICAL B.V. RIGAKU CORPORATION SHIMADZU CORPORATION STOE & CIE GMBH ICDD DISTRIBUTORS THERMO SCIENTIFIC

20 ICDD DISTRIBUTORS CZECH REPUBLIC Octopuspro S.R.O. t: PCS spol. s r.o. [email protected] t: f: EGYPT Nanoscient Technology [email protected] t: f: FRANCE Elexience [email protected] t: f: GERMANY Crystal Impact [email protected] t: f: RMS Kempten [email protected] t: f: GREECE Analytical Instruments SA [email protected] t: f: Antisel Selidis Bros. SA [email protected] t: f: Epsilon Alpha [email protected] t: f: HONG KONG HONGKONG MINGHENG International Trading Co., Ltd. [email protected] t: f: INDIA I.R. Technology Services PVT. [email protected] t: f: Perfomax Analytical [email protected] t: f: Sita Infobytes [email protected] t: f: Techscience Services Pvt. Ltd. [email protected] t: f: INDONESIA PT ARFINDO BERSINAR [email protected] t: f: PT Lab Sistematika Indonesia [email protected] t: f: PT Multi Teknindo Infotronika [email protected] t: f: INTERNATIONAL CENTRE FOR DIFFRACTION DATA IRAQ Al-Qiffaf Scientific Co. [email protected] t: f: ITALY Assing SpA. [email protected] t: f: JAPAN Digital Data Management Corp. [email protected] t: f: LightStone Corp. [email protected] t: f: Maruzen Co., Ltd. [email protected] t: f: Overseas X-ray [email protected] t: f: Tokyo Boeki Technology Ltd. [email protected] T: F: LITHUANIA ARM GATE, UAB [email protected] t: f:

21 MALAYSIA DKSH Technology Sdn Bhd t: f: QC Scientific (M) SDN BHD t: f: QES (Asia-Pacific) Sdn Bhd t: f: MEXICO MARKTEK, S.A. DE C.V. T: F: Spectramex, S.A. De C.V. t: f: NETHERLANDS AddspeX B.V. t: 31(0) f: 31(0) PEOPLE S REPUBLIC OF CHINA Beijing Glory Leader Technology Co., Ltd netshow/sh [email protected] T: F: Beijing Purkinje General Instrument Co., Ltd [email protected] t: f: Beijing Tech-Box S&T Co., Ltd [email protected] t: f: China Educational Publications Import & Export Corp. (CEPIEC) [email protected] t: f: POLAND LABSOFT [email protected] t: f: TESTCHEM Ltd [email protected] t: f: PORTUGAL Dias de Sousa S.A. [email protected] t: f: Joaquim Fernandes Reis [email protected] t: f: REPUBLIC OF CHINA, TAIWAN E Hong Instruments Co., Ltd. [email protected] t: f: San King Technology Co., Ltd. [email protected] t: f: Transmission Books & Microinfo Co., Ltd. [email protected] t: f: Union Scientific Instruments, Ltd. [email protected] t: f: Yenstron Corp. [email protected] t: f: REPUBLIC OF LATVIA SIA Armgate [email protected] t: f: ROMANIA RONEXPRIM SRL Bucharest [email protected] t: f: RUSSIA Sine Theta Ltd. [email protected] t: f: Tokyo Boeki (RUS) Ltd [email protected] T: F: ICDD DISTRIBUTORS 19

22 ICDD DISTRIBUTORS SAUDIA ARABIA Kawther Ibrahim Abdulkadir t: f: SINGAPORE QES (Singapore) Ptd Ltd t: f: SOUTH KOREA AT Frontier Co., LTD. t: f: Korea ITS Co., Ltd. (KITS) t: f: SCINCO Co., Ltd. t: f: Song Jee Ind. Corp. t: f: SPAIN Delca Consultores, S.L. t: f: THAILAND Crest Nanosolution (Thailand) Limited t: f: Crest Systems (M) SDN BHD t: f: MedScience Technology, Ltd. t: ; f: S.E.A. Engineering Co., Ltd. t: f: Two Theta Technology Co., Ltd. t: f: TURKEY TEKSER A.S. t: x110 f: UNITED ARAB EMIRATES Abu Dhabi International t: f: UNITED KINGDOM Oxford Cryosystems t: f: UNITED STATES Bernd Group, Inc. t: f: Compass Engineering corporation.com t: f: Export Oil Field Supply Co. t: f: Freeslate, Inc. t: f: Lab Depot Corp. t: f: Materials Data, Inc. t: f: PROTO Mfg. Inc. t: f: SOFTWARE shop USA t: Opt 2 f: INTERNATIONAL CENTRE FOR DIFFRACTION DATA

23 PDF-4 PRODUCTS PDF CD Code DVD Code List Academic New Single License F4C15 F4D15 $8,660 $5,775 Renewal from 2014 to 2015 F4RC15 F4RD15 $1,760 $1,150 PDF Multiyear License* Renewal - 3 year license F4C16MR18 F4D16MR18 $4,750 $3,105 Renewal - 5 year license F4C16MR20 F4D16MR20 $7,480 $4,890 PDF-4+Scholar Multiyear License Renewal - 5 year license F4SPC16MR20 F4SPD16MR20 NA $5,925 (Requires a current PDF-4+ and SIeve+ license before purchase.) PDF Site License* New Master License F4C15M F4D15M $8,660 $5,775 New - additional license, each F4C15C F4D15C $1,760 $1,150 Renewal - Yearly Master License F4RC15M F4RD15M $1,760 $1,150 Renewal - additional license, each F4RC15C F4RD15C $550 $395 PDF Site/Multi-year License* Renewal - 3 year Master Site License F4C16MR18M F4D16MR18M $5,495 $3,810 Renewal - 3 year additional license, each F4C16MR18C F4D16MR18C $1,820 $1,310 Renewal - 5 year Master Site License F4C16MR20M F4D16MR20M $9,340 $6,680 Renewal - 5 year additional license, each F4C16MR20C F4D16MR20C $3,190 $2,290 PDF-2 to PDF Conversion PDF-2 from 2014 to PDF F2414RCU15 F2414RDU15 $1,760 $1,150 PDF-2 from 2013 to PDF F2413RCU15 F2413RDU15 $3,520 $2,300 PDF-2 from 2012 to PDF F2412RCU15 F2412RDU15 $5,280 $3,450 PDF-2 from 2011 to PDF F2411RCU15 F2411RDU15 $7,040 $4,600 WebPDF Dongle Code New - Single License W415 $8,660 $5,775 Renewal from 2014 to 2015 W4R15 $1,760 $1,150 WebPDF Multi-year License* Renewal - 3 year license W416MR18 $4,750 $3,105 Renewal - 5 year license W416MR20 $7,480 $4,890 WebPDF Site License* New Master License W415M $8,660 $5,775 New - additional license, each W415C $1,760 $1,150 Renewal - Yearly Master License W4R15M $1,760 $1,150 Renewal - additional license, each W4R15C $550 $395 WebPDF Site/Multi-year License* Renewal - 3 year Master Site License W416MR18M $5,495 $3,810 Renewal - 3 year additional license, each W416MR18C $1,820 $1,310 Renewal - 5 year Master Site License W416MR20M $9,340 $6,680 Renewal - 5 year additional license, each W416MR20C $3,190 $2,290 WebPDF-4+ Conversion PDF-2 from 2014 to WebPDF W2W14RU15 $1,760 $1,150 PDF-2 from 2013 to WebPDF W2W13RU15 $3,520 $2,300 PDF-2 from 2012 to WebPDF W2W12RU15 $5,280 $3,450 PDF-2 from 2011 to WebPDF W2W11RU15 $7,040 $4,600 PRICING PDF to WebPDF W4W14RU15 $1,760 $1,150 *Please see Product Policies on page 15 & 16. Must have current release to take advantage of Multi-year License Pricing. 21

24 PRICING PDF-4/Minerals 2015 CD Code DVD Code List Academic New Single License MN415 NA $1,470 $1,020 Renewal from 2014 to 2015 MNR415 NA $735 $510 PDF-4/Organics 2016 New Single License NA OR4D16 $8,660 $5,775 Renewal from 2015 to 2016 NA OR4RD16 $3,190 $1,300 PDF-4/Organics 2016 Multi-year License* Renewal 3 year license NA OR4D17MR19 $8,615 $3,510 Renewal 5 year license NA OR4D17MR21 $13,560 $5,525 PDF-4/Organics 2016 Site License* New Master License NA OR4D16M $8,660 $5,775 New additional license, each NA OR4D16C $3,190 $1,300 Renewal Yearly Master License NA OR4RD16M $3,190 $1,300 Renewal additional license, each NA OR4RD16C $1,790 $1,210 PDF-4/Organics 2016 Site/Multi-year License (Contact ICDD Customer Service for a quote.) Support Software for PDF-4 SIeve New Single License SWS415N NA $560 $400 Renewal SWS415U NA $250 $180 SIeve Multi-year License* Renewal 3 year license SWS416MR18 NA $825 $595 Renewal 5 year license SWS416MR20 NA $1,440 $1,035 PDF-2 PDF New Single License C215PN NA $8,660 $5,775 Renewal from 2014 to 2015 C214PU15 NA $1,760 $1,150 Renewal from 2013 to 2015 C213PU15 NA $3,520 $2,300 Renewal from 2012 to 2015 C212PU15 NA $5,280 $3,450 Renewal from 2011 to 2015 C211PU15 NA $7,040 $4,600 PDF Multi-year License* Renewal 3 year license C216MR18 NA $4,750 $3,105 Renewal 5 year license C216MR20 NA $7,480 $4,890 PDF Site License* New Master License C215PNM NA $8,660 $5,775 New additional license, each C215PNC NA $1,760 $1,150 Renewal Yearly Master License C214PU15M NA $1,760 $1,150 Renewal additional license, each C214PU15C NA $550 $395 PDF Site/Multi-year License* Renewal 3 year Master Site License C216MR18M NA $5,495 $3,810 Renewal 3 year additional license, each C216MR18C NA $1,820 $1,310 Renewal 5 year Master Site License C216MR20M NA $9,340 $6,680 Renewal 5 year additional license, each C216MR20C NA $3,190 $2,290 *Please see Product Policies on page 15 & 16. Must have current release to take advantage of Multi-year Licence Pricing. 22 INTERNATIONAL CENTRE FOR DIFFRACTION DATA

25 Support Software for PDF-2 SIeve 2015 New - Single License Code SWS215N List $560 Academic $400 Renewal SWS215U $250 $180 SIeve Multi-year License* Renewal - 3 year license SWS216MR18 $825 $595 Renewal - 5 year license SWS216MR20 $1,440 $1,035 PDF Data Books (subject to availability) Set 65: Inorganic and Organic Data BK65B $895 $630 Sets (Red): Inorganic and Organic Data BK**B $895 $630 Special Pricing Save over 65% Sets 1 65: Inorganic & Organic Data BKP165 $9,000 $9,000 Printed Indexes & Search Manuals Alphabetical Indexes, Inorganic Phases AI65 $415 $305 Hanawalt Search Manual, Inorganic Phases HA65 $415 $305 Organic & Organometallic Phases OR65 $415 $305 With PDF Product Alphabetical Indexes, Inorganic Phases AI65W $220 $220 Hanawalt Search Manual, Inorganic Phases HA65W $220 $220 Organic & Organometallic Phases OR65W $220 $220 Scientific Support Activities & Products Specialized Workshops 2015 Rietveld Refinement & Indexing Workshop 1&2 9WSRRI12-15 $1,950 $1,950 Basic Workshop: September WSRRI1-15 $1,200 $1,200 Advanced Workshop: 1 2 October WSRRI2-15 $750 $750 Polymer Diffraction Workshop: October 2015 NEW 9WSPOLYDIFF15 $1,200 $1,200 Clinics 2016 ICDD X-ray Fluorescence Clinic Practical X-ray Fluorescence: April CLXRF1-16 $1,950 $1,950 ICDD Powder Diffraction Clinic: Session I Fundamentals: May CLXRD1-16 $1,950 $1,950 ICDD Powder Diffraction Clinic : Session II Advanced Methods: May CLXRD2-16 $1,950 $1,950 ICDD Powder Diffraction Clinic: Sessions I & II (both courses) 9CLXRD12-16 $3,600 $3,600 Educational Resource Package Complete Package (includes PW, SP, & ESM) ERP $210 $150 Using the Powder Diffraction File (must purchase ERP) PW $30 $30 Education Databook (must purchase ERP) SP $30 $30 Education Indexes (must purchase ERP) ESM $30 $30 Advances in X-ray Analysis Proceedings of the Denver X-ray Conference Advances in X-ray Analysis CD-ROM: Individual Volumes 40 59* AXA** $170 $170 Advances in X-ray Analysis CD-ROM: Volumes 1 39 AXA39 $400 $400 *Volume 59 will be available Summer Distributed Products Dow Polymer Pattern Collection DPPC $95 $95 PRICING *Please see Product Policies on page 15 & 16. Must have current release to take advantage of Multi-year Licence Pricing. The prices listed herein supersede all others previously published and are subject to change without notice. Visit or contact our Customer Service Department ( ) for the most recent product information and pricing. 23

26 ICDD ORDER/QUOTATION FORM View online here PLEASE PRINT OR TYPE * Required information (where the database/software is installed) ORDERED BY DATE *ORGANIZATION *END USER NAME *DEPARTMENT *STREET ADDRESS (NO P.O. BOXES) *ADDRESS (BUILDING/ROOM#) *CITY *POSTAL CODE *STATE/PROVINCE *COUNTRY *TELEPHONE *FAX * WEBSITE ICDD CUSTOMER NO. (IF KNOWN) CURRENT/RELEASE (PRODUCT SERIAL #) ITEMS ORDERED CODE QUANTITY PRICE (USD$) *COMPANY CLASSIFICATION Book Dealer Corporation Degree-Granting Institution Vendor Government Institute Other *BILLING ADDRESS (IF DIFFERENT FROM ABOVE): If paying with credit card, address must be where card is issued. *FIRST NAME *ORGANIZATION *ADDRESS *ADDRESS (BUILDING/ROOM#) *CITY *STATE/PROVINCE *TELEPHONE PLEASE CHECK ONE: *LAST NAME *POSTAL CODE *COUNTRY *FAX ORDER BILL ME PLEASE SEND QUOTATION PLEASE SEND PROFORMA CREDIT CARD PAYMENT CREDIT CARD TYPE VISA MasterCard American Express CREDIT CARD NO. EXPIRATION DATE NAME ON CARD (Please print) CVV# SIGNATURE DATE Terms are net 30 days, unless order is Proforma/Prepay. Finance charges of 1.5% per month may be applied to overdue balances. NOTE: Shipping/handling charges will be added to your invoice. Duties and taxes are not included in the pricing and are the sole responsibility of the customer. 24 INTERNATIONAL CENTRE FOR DIFFRACTION DATA

27 Ordering & Shipping CONTACT INFORMATION phone toll free (U.S. & Canada) fax registration sales technical support web 4 EASY WAYS TO ORDER online [email protected] fax mail International Centre for Diffraction Data 12 Campus Boulevard Newtown Square, PA U.S.A. Please send us a sales order via fax, or mail. ICDD requires the name of the end user on all orders. Use product codes in your order, if possible. A convenient order form can be found on our website at E-COMMERCE From the Powder Diffraction File to ICDD Clinic registration, ordering ICDD products and services has never been easier! 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. Visit our website at 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 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 product. Visit to complete the form. 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 invoice date. Finance charges of 1.5% per month (annual percentage rate of 18%) may be applied to overdue balances. THE ICDD ONLINE STORE OFFERS: Secure transmission using SSL encryption Customer on-line order history Online order tracking order confirmation shipping notification Customer satisfaction 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 CD, DVD 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 WebPDF-4+ 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 completed order. Note: Customers in Japan, South Korea and Russia must order through an ICDD licensed vendor. ORDERING & SHIPPING Visit for wire transfer information. 25

28 International Centre for Diffraction Data 12 Campus Boulevard Newtown Square, PA U.S.A. Please route to the appropriate individual in your organization, if undeliverable to addressee. If you receive duplicates of this catalog, or if you do not want to receive future mailings, please Thank you. NONPROFIT ORG U.S.POSTAGE PAID PERMIT #56 BROOMALL PA 19008