ICDD Technical Committee Minutes

UNAPPROVED MINUTES
Database Subcommittee
August 3, 2000
Chairman - Monte Nichols

Meeting called to order at 12:00 by the Chairperson, Monte Nichols. Nichols presented the subcommittee membership list (on file at Headquarters) and indicated that the current membership consists of former members who responded to his request for feedback/comments. Prospective new members who are willing to participate in future subcommittee goals are welcome. New members can join this subcommittee either via the ICDD website or by contacting him at NICHOLS@ICDD.COM.

The chairperson reviewed the previous mission statement & presented a viewgraph containing three ‘new’ candidate mission statements for the subcommittee’s consideration. Feedback regarding the subcommittee’s mission/goals was solicited. Acceptance of one of the mission statements was presented as a motion by R. Goehner and seconded by C. Foris. Motion passed 10/0/0. The new mission statement reads as follows:

The Database Subcommittee shall be responsible for assisting and/or advising ICDD regarding the overall improvement and timely update of the databases, including technical support where appropriate, and proactive suggestions regarding how new and developing database technologies might be used to provide a positive impact for the ICDD and be beneficial to its customers/vendors/resellers.

J. Faber gave a short presentation re relational databases (RDBs) & the ICDD’s potential new products. He noted that the existing CD-ROM product has little security from unauthorized use/duplication. Faber indicated the licensing & security capabilities of RDB’s are good -- the database is encrypted and licensing can be done via a software key. The first such product will be the soon to be released relational Metals & Alloys product. Before going into production mode the M&A RDB will be sent to selected members of the M&A subcommittee to allow them to further evaluate any remaining licensing & security questions.

Foris asked Faber if the site license capability will be available for the RDB database product. Based on Faber’s reply, it did not appear as if that aspect of the RDB had yet been resolved. Nichols indicated that it was his understanding that ‘flat file’ database products, including the M&A file, will be available for several more years.

Pattern quality of patterns calculated from ICSD-

Nichols asked: ‘is quality of these calculated patterns suitable for quantitative analysis'?

S. Quick said she would be hesitant to use -- without knowing quality of structure.

Foris indicated that errors are common in ICSD -- incomplete data, transposed values for temperature factors, etc.

Nichols asked about work being done screening ICSD data for quality before/after it is used to calculate patterns for use by ICDD customers. He wanted to know if HQ will be screening them and whether there are plans for additional codes based on the quality of these patterns and, where there are duplicates, which, if any, of them would be preferred?

M. Bennett indicated that he and F. McClune are beginning to edit FIZ data -- have recently reviewed 30 entries for AgI, marking 28 of the entries as suitable for deletion. Bennett reiterated his conviction that patterns should be editorially screened before being included in the database and the subcommittee members concurred.

J. Dann - M&A have reviewed duplicate entries and to screen out incorrect entries. All duplicate "good" entries will be retained in the database but will be appropriately marked.

Nichols indicated his belief that the best people to help the editors address duplicate entry issues in the FIZ database would be specific subcommittees (much as the M&A members are doing now), especially if the ICDD finds itself short of staff to perform such tasks.

Dann indicated that ICSD entries do not have obvious flags indicating non-ambient data collection conditions (temperature, pressure). Foris added that you have to "hunt" for information on non-ambient conditions in the flat file as well.

Nichols indicated he appointed a task group to address possible Next Generation databases. It consists of Nichols, Toby, Kaduk and Johnson, with an ICDD staff member to be chosen. Any suggestions by the membership would be welcomed by this task group.

Nichols indicated he had spoken to J. Gilfrich & T. Elam earlier in the week about forming a task group to look into whether an XRF database makes sense for the ICDD to ‘sponsor’. Elam volunteered at that time to lead such a task group and comment here.

Elam said XRF is not database intensive like XRD. However, the fundamental parameters (FP) databases are heavily used for quantitative analysis. Values in these DBs continue to be refined & improved. Several versions of FP databases are used (i.e., vendor’s, customized for specific analyses, etc.). Elam noted there is a strong interest in an FP approach to XRF analysis and much work remains to be done to improve these database (in general). He expressed a willingness to have an existing NRL/NIST FP database distributed by the ICDD, providing the author’s names & affiliations remain with the DB. He would also wish to obtain name/Email information about anyone who downloads this FP database.

Nichols asked for feedback from board members present? B. O’Connor responded that FP database quality is important to both XRF and XRD communities. Problems associated with XRD quantitative analysis (absorption, etc,) make the quality of FP databases important.

Elam - is ICDD interested in distributing this FP database from NRL/NIST?

The general answer is likely yes but as yet no formal motion has been made or forwarded to the ICDD board.

Elam - needs advice in this TG from someone who is familiar with XRD quant. analysis.

O’Conner volunteered to be such a contact both for XRD and the ICDD BOD.

Nichols - suggested that perhaps in return for Elam’s needs, NRL/NIST would agree that the ICDD be the exclusive site from which such data be downloaded. After some discussion, it was agreed that there are precedents for all these views.

It was the consensus of the subcommittee that the BOD should be alerted as to the possible future request for funding/staff help for such an ‘XRF’ database, even though no need is forseeen prior to the next ICDD meeting in March 2001.

The chairperson proposed that DB subcommittee communicate between meetings via e-mail rather than by phone or snail mail. After some discussion it was decided that we ask ICDD/HQ to create an e-mail distribution called "database@ICDD.com". Nichols volunteered to communicate with the system manager at ICDD, Sunzeri@icdd.com, to effect this change.

Nichols asked for a motion to adjourn and Goehner so moved. This was seconded by Foris. Motion passed unanimously and the meeting was adjourned at 12:52pm