Technical Committee Agenda and Minutes

Thursday 21 March 2002
International Centre Headquarters
Conference Room A
10:00-12:00 noon
J. A. Kaduk, Chairman

1. Call to Order and Opening Remarks

2. Roll Call and Attendance

The attendance list on record at headquarters.

3. Additions and/or Deletions to the Agenda

MOTION (Kaduk/Faber): that one of the XRD Clinic tuition waivers be designated the Deane K. Smith memorial scholarship.
Approved by acclamation

4. Approval of the Minutes

Hearing no objections, the minutes of the 15 March 2001 meeting of the Technical Committee were approved.

5. Introduction of Guests

6. Reports/Presentations of Regional Co-Chairs and International Guests

E. A. Antipov, Russia Work continues on integrating Former Soviet Union scientists into ICDD activities, holding ICDD workshops in Russia and the Newly Independent States, increasing the number of Russian Grants-in-Aid, and forming regional task groups. Two Russian phase diagram projects were described.

MOTION: Rename the Regional Co-Chair for Russia to Regional Co-Chair for the FSU.

Discussion led to the conclusion that we should not use FSU, as it was politically denigrating.
The motion was withdrawn.

  • M. Delgado, Latin America The ICDD workshop in Cordoba, Argentina (November 2001) was summarized, and plans for a workshop at the SARX-2002 meeting (November 2002) near Rio were described.
  • D. Rafaja was introduced as the new Regional Co-Chair for Europe.
  • S. F. Lin, China Plans for the Chinese powder diffraction meeting, to be held in April 2003, were summarized.
  • N. Ishizawa, Eastern Pacific Rim The contract between JST and Material Phases Data Systems for the development of the Linus Pauling File has been terminated, the result of financial constraints of the Japanese government. The initial binary phases release of the LPF (about to issue) is to contain ~27,000 compounds in 2500 systems.
  • B. O'Connor, Australia/South Asia - The slides from this presentation are here.
  • D. Taylor, United Kingdom J. Faber, H. McDonald, and D. Taylor represented ICDD at the British Crystallographic Association meeting in Reading in April 2001. Taylor displayed ICDD paper and RDB products at the Bruker users meeting in April 2001. ICDD had an exhibit at the 20th European Crystallographic Meeting in Krakow, August 2001. Plans are developing for the ECM-21, in Durban, South Africa in 2003. Taylor was present at the Durham Conference on X-ray Analysis (September 2001), the Philips XRD Theory Course (January 2002), and the BCA Spring Meeting (March 2002, with ICDD exhibit).

7. Subcommittee Reports and Motions

Minerals (A. McDonald)

MOTION (McDonald/Wallace): that ICDD software allow searching on zeolite structure type codes.
Passed. Yes: 32, No: 0, Abstain: 0

MOTION (McDonald/Wallace): that patterns calculated from hypothetical structures be assigned a database code of H (record 1, column 72), a quality mark of H for publication (record G, column 24), and a comment be added stating that this pattern is based on a hypothetical structure.
Passed. Yes: 29, No: 0, Abstain: 1

MOTION (McDonald/Roberts): that $5000 be allocated for 1-2 meetings of the Zeolite Task Group (J. M. Bennett, R. Hamilton, R. Medrud, and S. Quick) during the next fiscal year.
Passed. Yes: 18, No: 0, Abstain: 7 (Quick, Hamilton, Bennett by name)

MOTION (McDonald/Quick): that ICDD software be modified to allow the user to specify a default wavelength that will be used for the conversion from d to 2?. A warning will be displayed when the author=s wavelength is different from the default value.

Discussion extended the specification/warning to fixed/variable slits.
Passed. Yes: 29, No: 0, Abstain: 1

MOTION (McDonald/Post): that $6000 be used to support the Minerals Task Group meeting in June 2002.
Passed. Yes: 24, No: 0, Abstain: 4 (Roberts, Bernstein, McDonald by name)

Ceramics (E. Antipov)

MOTION (Antipov/Wallace): That ICDD create a subfile, Ionic Conductors (ION).

To achieve this, the Subcommittee will have to create a Task Group.
Passed. Yes: 27, No: 0, Abstain: 1

MOTION (Antipov/Faber): that a sum of up to $1000 be allocated to support the participation of Professor Nalbandyan (task group member) in the International Conference on Ionic Conductors. Professor Nalbandyan will present ICDD activities and assess the needs of the community. A trip report to the Subcommittee will follow.
Passed. Yes: 23, No: 0, Abstain: 5

MOTION (Antipov/O=Connor): that a sum of up to $3000 be allocated for task group members to attend the ICDD Annual Meeting, to support work on the RDB.
Passed. Yes: 25, No: 0, Abstain: 3

Metals and Alloys (J. Dann for H. Jones)

MOTION (Dann/Misture): that, where permissible, Atomic Structural Data used for calculating powder patterns be stored in the ICDD relational database.
Passed. Yes: 29, No: 0, Abstain: 1

Discussion indicated that the sense of the motion was to store the coordinates in the in-house master database.

Organic and Pharmaceutical (J. Kaduk for G. Stephenson)

MOTION (Kaduk/Rendle): that ICDD contact the USP with the aim of a joint project on reference powder data of USP materials. Harry Brittain will be the contact.

The sense of the project is that USP will supply materials without charge, and that ICDD will arrange for the collecting of the powder data - through the Grant-in-Aid program, contract, CSSI, or other means.
Passed. Yes: 30, No: 0, Abstain: 1

MOTION (Kaduk/Faber): that information contained in the patterns of amorphous materials is often of vital interest to many of these pharmaceutical entries. We should engage in the process of looking for ways of finding these patterns and get them into the database.

The sense of the motion is to extend the PDF-4 Organics to include APDF-3@ patterns. By inference this could also mean including clay and polymer PDF-3 patterns in the PDF-4 Full File.
Passed. Yes: 28, No: 0, Abstain: 5

MOTION (Kaduk/Brittain): that characterization of amorphous materials is often important in pharmaceutical science. Patterns of amorphous substances should be incorporated into the PDF-4 Organic database, along with characteristic physical properties (Tg, melting point, water content, etc.)
Passed. Yes: 26, No: 0, Abstain: 7

Polymers (T. Blanton)

No motions. The Subcommittee reviewed a submission form for polymer data.

Electron Diffraction (A. Eades)

No motions.

High Pressure and High Temperature Diffraction (C. Prewitt)

MOTION (Prewitt/Jones): that the titles of all references be included in all ICDD databases.
Passed. Yes: 32, No: 0, Abstain: 0

MOTION (Prewitt/Taylor): that the Subcommittee name be changed to Non-Ambient Diffraction Subcommittee.
Passed. Yes: 28, No: 1, Abstain: 0

A Task Group (chaired by S. Misture) was established to identify high-temperature standards, resulting in an eventual publication.

XRD Methods (S. Misture)

MOTION (Misture/Hubbard): that ICDD HQ purchase two NIST SRM1976 alumina plates for loaning to the labs that participate in the study.
Passed. Yes: 29, No: 0, Abstain: 1

Education (S. Quick)

MOTION (Quick/O=Connor): that ICDD split the existing Educational Resource Kit, and post it on the Web at no, or very low cost.

The nature of the split is to separate the text/historical material from the examples/tutorial component. It was agreed that headquarters would evaluate posting this material on the Web in cooperation with the Subcommittee.
Passed. Yes: 28, No: 1, Abstain: 5

MOTION (Quick/Blanton): that the short-term use of the RDB for educational purposes be limited to the education subfile.

There were security concerns, and discussion about the price of the Education Subfile, and whether such use could fall under a site license. Different models could be imagined for use of the PDF in an undergraduate introductory course or an advanced research course.
Failed. Yes: 25, No: 3, Abstain: 6

MOTION (Quick/Rotella): that the ICDD develop a program to support student travel to various conferences, including the Denver X-ray Conference.

The sense of the motion is that student travel support would be identified as an AICDD Bursary@. Probably such support could be achieved in a different way through the Meeting Support Committee and the Denver X-ray Conference Organizing Committee.
Passed. Yes: 31, No: 1, Abstain: 2

PDF Editorial Staff (F. McClune)

No motions.

8. New Business

C. Foris pleaded for better advance notice (longer lead time) for future ICDD meetings. A continuing problem is the absence of agendas for Subcommittee meetings. It is important that these meetings be productive, and it is more difficult to be productive without an agenda.
T. Blanton announced that the ICDD Distinguished Grantee Award is to be presented to E. Antipov.

MOTION (Hubbard/Faber): that Headquarters review incorporating complete indexing (hkln) of modulated structures in the RDB.
Passed. Yes: 33, No: 0, Abstain: 0

Harry Brittain gave a presentation on X-ray Powder Diffraction in the Pharmaceutical Industry. His slides are included as Attachment 3.

F. J. Rotella, Secretary
J. A. Kaduk, Chairman