224 Bulletin of Magnetic Resonance

Survey of the EPR Community on the EPR Database

and Related Projects

Czeslaw Rudowicz

Department of Physics- and Materials ScienceCity Polytechnic (University from 1994/95) of Hong Kong

Kowloon Hong Kong

Contents

I. Introduction 224

II. Questionnaires and analysis of responses 224A. EPR-Q: The Future of EPR Spectroscopy of Transition Ions 225B. P-EPR: Planning EPR-database structure 231C. ML: Membership aspects 234

III. Concluding remarks 236

IV. References 238

I. IntroductionEPR studies provide a wealth of information,

which can be best utilized if available in a computer-searchable form. Establishment of a computer-ized EPR-related database would require, amongother things, standardization of notations and units.These proposals have been put forward to the In-ternational EPR (ESR) Society [IES] in the twosubmissions in August 1990 (1): On Unification ofNotations Used in EPR and On Establishment of aComputerized EPR-related Database and the EPRcommunity (2). A feasibility study of the EPR-related database project followed starting in early1991. The objectives of the pilot study were: (i) tofind out the opinions of the EPR community con-cerning the above two proposals, (ii) to investigatethe users' requirements and identify the data needs,and (iii) to work out a Feasibility Study Report forconsideration by the IES.

The present survey and the proposed EPRdatabase project are perceived as a service to theEPR community under the auspices of IES. Theidea of an EPR database has also been discussedat the EPR meetings held in Denver [EPR Newslet-ter [EN] 4/3, 7 (1992); 5/2, 5 (1993)]. A postersummarizing the preliminary results of this study

has been presented at the EPR Symposium in Den-ver (3). In this paper the results of the analysisof the 70 plus valid responses received to date arepresented.

II. Questionnairesof responses

and analysis

For a meaningful analysis of responses the per-tinent background on the stages of the project andworking out of the questionnaires is important. Theproject started with the setting up of a namelistof EPR researchers working mainly in the area oftransition-metal and rare-earth ion - EPR studies inearly 1991. The namelist, complied using dBASE-IV, was based on an extensive survey of literaturepublished since 1980 onwards and supplementedwith addresses received from private contacts withEPR researchers. The questionnaire, The Futureof EPR Spectroscopy of Transition Ions [EPR-Q](1,2), has served as an initial test for working out themain questionnaire, Planning EPR-database Struc-ture [P-EPR], in mid-1991. Included in the mainset [EPR-DB], apart from P-EPR, were the addi-

Vol. 16, No. 3/4 225

tional questionnaires: Mailing List for Future Issues[ML] and EPR-related Conferences [EPR-Con].The full set of questionnaires, i.e. EPR-Q andEPR-DB, and the two submissions, accompaniedby an Open letter to EPR community members, havebeen dispatched to about 800 researchers in late1991 and successively to over 100 more researchersthereafter. The paper (2), where the rationale forstandardization of symbols in EPR was detailed andpertinent references were given, had also been en-closed. The analysis of responses began in mid-1992.In order to increase the number of responses a noteon the project has been placed in EN [3/4, 6 (1991)]distributed in early 1992. However, it has generatedbut a few additional responses.

The geographical distribution of responses is pre-sented in Table 1. There are two types of responses:(i) Full, i.e. responses to the full set of question-naires (EPR-Q and EPR-DB), and (ii) EPR-Q,i.e. responses to EPR-Q only. The rate of response(%) is calculated including both (i) and (ii) with re-spect to the total number of EPR-DB sets sent.Some special cases are also indicated in Table 1.In several cases the envelopes with EPR-DB havebeen returned as 'undelivered' mail or the personhas indicated only that he/she has 'left the field' ofEPR in the meantime. In a few instances 'Mail-ing list only'has been returned. The mailing of theEPR-DB questionnaires coincided with the majorchanges on the political map of Europe. Since itwas difficult to accomodate these changes explicitlyin our geographical listing, the new countries areconsidered jointly under the former name indicatedby an asterisk, whereas the responses from the Westand East Germany were merged. Several responseshave been received after the analysis of data wascompleted. Including these responses would slightlyincrease the total response ratio in Table 1. Theoverall response ratio of about 8-9% is disappoint-ingly low. We don't think, however, that this lack ofattention is malicious; rather it is due to the natu-ral tendency of (very busy) people to focus on theirown immediate problems.

The results of the analysis of responses are orga-nized into three parts concerned with (A) EPR-Q- in Figures 1 to 5, (B) P-EPR - in Figures 6 to 12and Table 2 and 3, and (C) ML - only the aspectspertinent to the membership of the EPR communityare included here.

A. EPR-Q: The Future of EPR Spectros-copy of Transition Ions

For the questions in Figure 1 the lack of an-swer (no answer) and the no opinion answer aremerged, while the firm no answer is indicated ex-plicitly. For the question A7.1 in Figure 2 the ofminor use and negligible use answers are merged,yielding 6%, whereas the combined percentage ofthe very useful and useful answers is 91%. This in-dicates a very strong support for the idea of a com-prehensive computerized EPR database. Financialviability of the EPR database looks promising gaug-ing from the percentage of the potential subscribers:14% very likely and 65% probably. Hence the endproduct of the EPR database project is likely to be-come a saleable commodity.

The overwhelming support by respondents forall other proposals dealt with in Figures 1 and 2is evident, except for the financial commitments re-garding development of an all-purpose user-friendlyEPR computer package [Figure 2, A6.2(ii)]. The re-sponses indicate that a strong need exists within theEPR community for (i) the internationally acceptedstandards on EPR nomenclature and conventionsand (ii) a glossary of terms used in EPR (Figure1) as well as (iii) an EPR computer package (Fig-ures 1 and 2). The first two proposals can only besuccessfully dealt with if cooperation between IS-MAR, IES and IUPAC, at a proper level, can beensured. The author's attempts to bring about suchcooperation have not been successful so far. Possi-bility of cooperation on these and related projectswith AMPERE Society and regional EPR/ESR so-cieties should also be investigated. The extensionto the spin S>l/2 systems of the Recommendationsfor EPR/ESR Nomenclature and Conventions forpresenting experimental data in publications [(4); cfalso EN 3/1, 9 (1991)], dealing only with the S = 1/2systems, is crucial for the EPR database project(2). To the best of our knowledge, the work onthis extension, planned under the auspicies of IU-PAC Commission 1.5 (5), has not continued. Thelack of financial resources and manpower seems tobe the major obstacle in pursuing these proposals.

The situation is better with regard to the EPRcomputer programs, due to efforts of Prof. R. Cam-mack, Chairman of the IES Computer SoftwareCommittee, who has complied a database of avail-able EPR programs [EN 4/3, 6 (1992)]. The names

226 Bulletin of Magnetic Resonance

GAAF

AP

EU

LA

NA

Table

CountrySouth AfricaZimbabwesubtotalAustraliaChinaHong KongIndiaIsraelJapanNew ZealandSouth KoreaTaiwanVietnamsubtotalBelgiumBulgariaCIS (f. USSR)*Czechoslovakia*DenmarkFranceGermany*GreeceHungaryItalyNetherlandsPolandPortugalRomaniaSpainSwedenSwitzerlandTurkeyUKYugoslavia*subtotalArgentinaBrazilMexicoVenezuelasubtotalCanadaUSAsubtotaltotal

': Geographical Distribution o:No.

Sent112

27161

342

788551

177113

12814

16965

310263828

15

282

183

365

3666

2146

3723

156179889

ResponseFull

0003313020100

1310

1220112212401301120

2401001167

57

EPR-Q0001102010000500100040001100000000600000044

16

%0.00.00.0

14.825.0

100.014.70.03.80.0

20.00.00.0

10.29.10.0

10.214.30.01.47.7

66.720.0

3.87.9

17.90.0

20.010.70.05.6

33.35.60.08.20.04.80.00.02.74.36.46.18.2

ResponsesUnde-livered

0001100070000800700100107000001020

120000019

1037

Left thefield

00001000010002000001100000000010104000000006

Mailinglist only

000000001000010010010000000.00000001000001236

Vol. 16, No. 3/4 227

Table 2: Compounds by Molecular Formula or Specific Ion

CompoundAMX3A2MX2

A2MX4[A=alkaline; M=divalent; X=O,F]ABF6-6H2O[A=Mn2+, Ni2+, Cu2+, Co2 +,Fe2+, Zn2+, Cd2+, Mg2+, Ca2+;B=Si4 +, Ge4 +, Ti4+, Zr4+, Mg4+]BGOBi2Sr2Ca2Cr3O4BiVO4

BSOCaF2, C a i _ x Sr x F 2Ca2Fe205

Ca3Ga2Ge3Oi3Ca3Ga2Ge4Oi4CaO - systemsGa2C>3 - systemsGeO2 - systemsCdTeCo2 + compounds

Freq.512

2

1131111111111

CompoundCo2Si04Cr3+ compoundsFe2+ compoundsFe3+ compoundsGd3 + compoundsLaGaC-3Li(RE)F4 [RE=Y, Yb, Dy, Er]LiHLiNbO3

LiOHMn2+ compoundsMX2NdGaO3

PbTePrGaO3Rb2MnxCr1_xCl4

REnXmOt [RE=Rare earth ions]Sn_xBaxF2XmOi [X=P, V, As, Al, Ti, Nb, Si, Bi]Y2Ba2Cu307_8

Freq.11121111312111111111

Table 3: Materials by Name of Specific Group

MaterialApatitesBiomolecularCatalysts ceramicsComplex with chelate ligandsDiamond like crystalsDisordered solidFerroelectric materialsFluoritesGarnetsGermaniumGlassesGraphite intercalation compoundsHalides

Fxeq.16111232

1225

MaterialInorganic compoundsIonic crystalsMagnetic materialsMineralsOptoelectronic materialsOrganic compoundOxidesParaelectric crystalsPiezoelectric crystalsFree radicalsSpin trapsSuperconducting materialsTransition-metal ion compounds

Freq.52121

T-H

42

.14153

228

Al

A2

A6.1

A8.1

Bulletin of Magnetic Resonance

94%" 6%

90% 7%

89% , 10%

76% 24%

10 20 30 40 50

Frequency

60 70 80

I yes no D no opinion and no answer

Figure 1: Answers to Al, A2, A6.1 and A8.1.Al-Would you find it useful if there were internationally accepted standards on EPR nomenclature andconventions?A2-Do you feel the need for a glosary of terms used in EPR, containing precise definitions of basic notions?A6.1-Would you find it useful if an all-purpose user-friendly EPR computer programme package for analysis,simulation and fitting EPR spectra was available?A8.1-Would you welcome establishment of an EPR Documentation Center?

of respondents who indicated some EPR/ESR pro-grams developed in their groups (as revealed bythe question Cl in ML), and which have not beenlisted in the 1991 edition of the ESR/EPR SoftwareDatabase, have been passed on to Prof. Cammack.An EPR Documentation Center, whose establish-ment (Figure 1, A8.1) has received strong support(76%),.could take up a leading role in achieving theabove goals, including development and on-goingrunning of the EPR database.

The results of the inquiry on the preferred (i)notation for the zero-field splitting [ZFS] terms,(ii) axis system, and (iii) unit for the ZFS param-eters are presented in Figures 3, 4 and 5, respec-tively. The extended Stevens (ES) operators (6,7)have received majority of 'votes' (49%). There wasquite a large proportion of 'undecided votes' (27%),whereas the NS, BST, and KS/BCS operator nota-tions (for definitions and references, see ref. 7) ratedat or below 8%. Among other notations suggested,apart from a few ephemeral notations, several re-spondents indicated as a complementary one theconventional S.D.S (and a, F) notation. Question

A4 (Figure 4) appears, in retrospect, to be poorly-constructed, since fully meaningful answers wouldrequire drawings of the crystal structures and axissystems. In Remarks several people mentioned thecrystallographic, principal, and magnetic axis sys-tems. Strong views that precise definitions shouldbe always provided for the axis systems used in EPRstudies were also expressed. This again reconfirmsthe need for a glossary of terms used in EPR.

Assuming that our sample of respondents is rep-resentative, these results are encouraging since theyreveal that a much more coherent consensus on theZFS notations (Figure 3) as well as on the unit forthe ZFS parameters (Figure 5) exists within theEPR community, contrary to what could be ex-pected judging by the messy situation prevailing inthe literature in this regard (for a detailed review,see ref. 7). Nevertheless, the question of unificationand standardization of notations used for the vari-ous spin Hamiltonian terms remains a thorny issue[EN 2/3, 6 (1990); 5/2, 6 (1993)], whose solutionhas been seriously attempted neither by the EPRcommunity nor EPR organizations so far. Since

Vol. 16, No. 3/4 229

A6.2(i)

A7.2

A7.1

31% 36%

25% 53%

14% 65%

10 20 30 40 50

very likely 11 probably CD not likely ^ no answer

42% 49%

10 20 30 40

Frequency

50

[D very useful H useful D of minor use M no answer

17%

60 70 80

6%

60 70 80

Figure 2: Answers to A6.2(i), A6.2(ii), A7.2 and A7.1.A6.2-Would you be prepared to contribute to the development of such a package, (i) by working on theproject? (ii) by obtaining financial assistance through your institution?A7.2-If you would find a comprehensive EPR database useful or very useful, do you think your institutionwould subscribe to release of the EPR database information?A7.1-How do you preceive the usefulness of a comprehensive computerized EPR database?

no answer27%

KS/BCS4%

ES - the extended Stevens

NS - the normalizedStevens

BST - the Buckmaster,Smith-Thornley

KS/BCS - the Koster-Statz,Buckmaster-Chatterjee-Shing

others - other notations

Figure 3: Answers to A3 - preferred notation for the ZFS Hamiltonian.

230 Bulletin of Magnetic Resonance 1

<«l/ -

35 -

30 -

25 -

20 -

15 -

10 -

5 -

0 - 1— 1 1 f— — 1 —

) ''••' r' < •

0:;.,r.,,r. •'• <;

1cubic tetragonal trigonal orthorhombic monoclinic no answer

Figure 4: Answers to A4 - preferred axis system for presentation fo the ZFS data.

30

25 --

20 --

10 --

10-4 cm-1 MHz erg K cm-1 eV Gauss other no answe'

Figure 5: Answers to A5 - preferred unit for the ZFS parameters.

Vol. 16, No. 3/4 231

1990, when the question of setting up a nomencla-ture committee has first been put forward to IES,"this is a continuing problem" [EN 2/3, 6 (1990)].It should be realized that the internationally ac-cepted standards on EPR nomenclature andconventions are essential for the future of the EPRfield and thus a nomenclature committee should beestablished as soon as it is practically possible. How-ever, only 9% of respondents declared willingness tobecome members of a pertinent committee (see Fig-ure 10, BlOc).

B. P-EPR: Planning EPR-databasestructure

Since most of the results are self-explanatory, wecomment briefly on the findings presented in Fig-ures 6 to 12 and Tables 2 and 3. Out of the 57full responses, the majority of respondents indicatedthe chemical formula, paramagnetic ion/species andthe values of the ZFS and Ze parameters, includ-ing the experimental errors, as the most usefuldata types (Figure 6). Other data types men-tioned were: stress dependence of the ZFS param-eters, isotopic composition, drawings of the struc-tural formula of the species or the immediate en-vironment of the magnetic site, hyperfine interac-tions for organic radicals, environment informationlike solvent of liquid radical solutions, EPR spec-tra (which could be electronically mailed to thedatabase in a specific format if adopted interna-tionally), protein concentration, values of the ZFSparameters in original notations, microwave power,modulation amplitude, sweep rate (powder spectra),preparation conditions, EPR linewidth, halfwidthand its isotropic properties, and magnetic exchangeinteractions. This reveals a wide range of optionswhich should be taken into account during theplanning phase of the development of a full-scaleEPR database. However, including the drawings ofstructures and the actual EPR spectra in the EPRdatabase would require graphical capabilities anda large-scale storage media, which would increasethe costs significantly. Interestingly, out of the twooptions: (i) the actual EPR spectra database and(ii) the database of spin Hamiltonian parameters (asproposed here), the latter option was most favouredby the participants at the EPR 1992 meeting in Den-ver [EN 4/3, 7 (1992)]. Most recently a discussionon these two options has been initiated by Dr P.

Morse on the EPR LIST electronic network [EN 5/3,5 (1993)] starting in February 1994. Several usefulideas have been generated initially, however, quicklythe interest in this topic has faded.

There is no uniformity on the most importantcompounds/materials or ions/species. The answersare grouped into compounds by molecular formula orspecific ion in Table 2 and into materials by nameof specific group in Table 3, whereas the frequencydistribution of ions/species, transition-metal ions,and main group ions is presented in Figures 7, 8a,and 8b, respectively. Direct listing of ions may bemore meaningful. The 52 responses indicating ex-plicitly ion/species yield the following count: 3d ions(6), transition-metal ions (8), rare-earth ions (12);V2+/4+ (2/2), Cr2+/3+/5+ (4/15/2), Mn2+/3+/4+'(25/4/3), Fe2+/3+/4+ (7/25/1), Co2+ (5), Ni2+ (6),Cu2+ (17), Eu2+ (2), Gd3+ (13), Mo5+ (2), VO2+(3). Paramagnetic species mentioned only once arenot listed here. The results reflect the various widelyspread research interests of the researchers, how-ever, a definite focus on the transition-metal ionsin technologically important materials may be no-ticed. The latter aspect may be helpful in searchingfor funds for the future development of a full-scaleEPR database. Support from industrial companies,which use EPR techniques and/or utilize EPR datafor materials characterization, could be sought. Outof the few commercial producers of EPR equipment,strong support for the EPR database has been de-clared by the Bruker, who could also help with mar-keting the product. Question B9 (Figure 10) isstrongly related to the 'chemical content' and henceis considered here. Although within the questionBl the researchers listed particular chemical struc-tures (Table 2 and 3), the majority (70%) wouldlike to have all chemical structures studied by EPRtechniques listed in the EPR database (Figure 10,B9). Other suggestions were, e.g. 'initially crys-talline systems, later all other chemical structures'and 'inorganic compounds'.

It is worthwhile to mentioned here that at theEPR 1992 meeting in Denver P'rof. J. Weil volun-teered to collect "inorganic" data, whereas Prof. H.Buckmaster agreed to assemble data from reprintsin the way that he did in his reviews published inMag. Reson. Rev. series [EN 4/3, 8 (1992)]. Ac-cording to our informal information as of August1993, no progress has been made in this regard be-

232 Bulletin of Magnetic Resonance

a - chemical formula

b - doping level

c - paramagnetic ion/species

d- spin

e - site symmetry

f - spin Hamiltonian symmetry used

g - definition of the axes with respect to thecrystallographic ones

h - frequency

i - temperature range studied

j - magnetic field range appliedk - values of the zero-field splitting (ZFS)

parameterskl - with the experimental errors included

k2 - without the experimental errors included1 - values of the electronic Zeeman (Ze)

parameters11 - with the experimental errors included

12 - without the experimental errors includedm - type of the original notation used for ZFS

parametersn - bibliographical data, i.e. source reference

a-

b-

c-

d-

e-f-

g

h

i

j

k

kl

k2

1

11

12

m

n

_ I_ ^

11

J1"1

1|_ l

]|

1

0

Figure 6: Answers to Bl - most useful data types.

20 40Frequency

60

cause of various other commitments. A more coor-dinated effort is needed to bring about substantialprogress in the EPR database project.

From the suggested list of queries (Figure 9) themost useful seem to be (i) References to EPR stud-ies of the ion X in the compound Y, (ii) Papers onthe ion X with spin Y in the site of symmetry Z,and (iii) Values of the ZFS parameter X for the ionY at symmetry Z. Other comments on the possiblequeries made include requests for information on thetype of phase transition, type of ligand, crystallo-graphic classes, values of the hyperfine interaction

constants, name of starting material as well as desirefor a large scientific state-of-the-art database systemcapable of flexible information searches.

Responses to questions concerning technical as-pects of the database structure and organizationare summarized in Figures 10 and 11. Most peo-ple (57%) want all authors and full title to be in-cluded in the bibliographical data (Figure 10, B3),whereas the minimal option is still satisfactory forsome (25%). The 'votes' on a topical (30%) versusnumerical (35%) database are nearly equally split,with similar number of 'undecided votes' (Figure 10,

Vol. 16, No. 3/4 233

rare-earth ions13%

mam group ions10% phosphate

3%

carbon oxide ions2%

transition metal ions64%

Figure 7: Frequency distribution of ions/species.

B4). The former option is less costly and easier toimplement, whereas the latter one is much more 'la-bor intensive'. Other comments on the databasestructure were, e.g. "a simple topical database willbe cheaper to establish and maintain, and more in-stitutions will be able to afford the subscriptions","small-scale, probably available on work stations orPC, high speed searches", "in order to keep thedatabase size reasonable, the format of data stor-age should depend on the type of the paramagneticspecies-for marketing purposes one would call this'object oriented'", "EPR spectrum + spin Hamilto-nian -f Bibliographical details".

There is no special preference for the type ofsoftware to be used (Figure 10, B5), which indi-cates most probably a lack of sufficient knowledge onthe technicalities of database systems among the re-spondents. This is confirmed by the answers to thequestion B6 regarding the database systems withwhich people have experience. The names spec-ified by a handful of people (numbers in brack-ets) included either general purpose databases, e.g.,dBASE (2), Fox-pro (2), Paradox (2), and Oracle(1) or large scientific databases, e.g., Chemical Ab-stracts (2), Cambridge Crystallography (3), Inspec(2), SCI (1) and CCOD (1). Similarity the listing ofthe database systems available at the respondents'institution (question B7) included the same namesas given in the answers to the question B6 and, ad-ditionally, Dialog, SQL, and Pascal (CNRS). Theopinions on the scale of the EPR database are pre-

sented in Figure 11. A majority (54%) opted for alarge full-scale database, comprehensive with regardto data types and literature sources.

Feasibility of the development of a full-scale EPRdatabase hinges on several factors, among others,the existence of other EPR-related databases andthe level of support from EPR community, whichwere probed in the question BIO (Figure 10) andBll (Figure 12), respectively. The knowledge ofother EPR-related databases (Bll, Figure 12) isvery low (7%). The items listed by this 7% ofrespondents include one EPR book (published in1965), two review article series (Mag. Reson. Rev.and Landolt-Bornstein), STDB II, 'ESR/EPR inCAS-online', and 'Bruker' (?). The only EPR-related computer database in this listing is STDBII, which is a database for spin trapping. This con-firms that no EPR-related computer database existsat present. Concerning the level of support from theEPR community, the question of the low responserate in the EPR database survey aside, a tangiblesupport for the EPR database project has been di-rectly shown by about a quarter of respondents whodeclared their willingness to share the work and totake on some aspects of the development of the EPRdatabase (Figure 10, BlOa, b). Hence the numbersinvolved are enough for efficient multinational workon the project.

234 Bulletin of Magnetic Resonance

A IB17% .—

^ ^

im IVB2% 2%

VB3%

VIB• ^ ^ ^ 18%

VIIIB33%

B Group VIIGroup II

Group III10%

Group VI70%

Figure 8: A) Frequency distribution of transition metal ions. B) Frequency distribution of main group ions.

C. ML: Membership aspects

The survey reveals the following pattern of mem-bership of the EPR-related societies among the 25respondents who provided answers to this question(numbers in brackets): (a) International EPR Soci-ety [20], (b) ISMAR [6], (c) Ampere Group [4], (d)ESR Group of the Royal Society of Chemistry [2],(e) Others [6]. Note that one person may be a mem-ber of more than one organization, while 48 respon-dents did not provide any indication on their mem-bership or returned only the EPR-Q. The organi-zations specified under others are: the 'country re-

lated' ones, which includes three national EPR/ESRgroups (Poland, Hungary, Czechoslovakia) and twoprobably internal Russian ones (SMRM, ISDE - ?),as well as ESR Applied Metrology, ESR Dating andDosimetry and American Institute of Ultrasound inMedicine.

The analysis of the brief description of the re-search interests given by the respondents providessuggestions for future amendments to the fields-of-interest codes for members of IES [cf EN 5/2(1993)]. We have tried to categorize the researchinterests revealed in our survey according to the 28fields used by IES. The results are as follows (num-

Vol. 16, No. 3/4 235What queries would be useful to you?

a - References to EPR studies of theionX

al - in the compound Y

a2 - in the compound Y and thesymmetry Z

a3 - the symmetry Z

b - Papers on the ion X with spin Y inthe site of symmetry Z

c - Values of the ZFS parameter X forthe ion Y at symmetry Z

Other useful qualifiers to be used tonarrow the search,d - time period

e - frequency

f - temperature range

al

a3

0 10Figure 9: Answers to B2.

20

Frequency

30 40

bers in brackets indicate no of occurences of researchinterests which fall within a given IES category):1. BIOMED [8], 2. POLAR [0], 3. COAL [0], 4.COMP [14], 5. CRYST [15], 6. DMR [4], 7. FERR[2], 8. FREE [0], 9. GEOL [0], 10. EPRI [3], 11. IN-STR [2], 12. LABEL [3], 13. LIQ [2], 14. MEMBR[2], 15. ION [5], 16. METALP [2], 17. OXY [0],18. PEPR [1], 19. PHOTO [1], 20. POL [2], 21.RAD [4], 22. SOLID [20], 23. SUPERC [11], 24.SURFACE [1], 25. KINETICS [2], 26. TRAP [2],27. VIVO [0], 28. CA [0].

The research interests, which do not fall withinany IES code can be classified into five groups,namely, (a) EPR-related experimental techniques,(b) EPR-related theoretical aspects, (c) physicalproperties, (d) specific materials, and (e) other ar-eas. The list compiled from the responses com-

prises: (a) APR [1], EPR dating [1], EPR dosime-try [3], ESE (ESEEM) [2]; (b) group theory [1],Jahn-Teller effect [2], ligand field theory [3], super-position model [2]; (c) defects and impurites [13],electron spin relaxation [1], exchange interactions[1], paramagnetic centers [2], phase transitions [12],spin-lattice coupling [2]; (d) high sensitivity scin-tilators [1], low dimensional conductors [1], metalfilms [1], semiconductors [3]; (e) catalysis [1], crys-tallography [1], FIR [1], magnetism [1], mesoscopicsystems [1], Mossbauer spectroscopy [1], NMR [3],optical spectroscopy [2], susceptibility [2]. The dis-tribution of fields within the IES list and the abovelist indicate the neccessity for a more adequate cod-ing for the fields of interest as well as for a moreprecise specification of the content of each code.It would be worthwile to introduce, instead of the

236 Bulletin of Magnetic Resonance

BIO

Figure 10: Answers to B3, B4, B5, B9 and BIO.B3-Should the bibliographical data include: [a] all authors and full title, [b] only the minimum informationnecessary to identify the reference, [c] no opinion.B4-Would you be satisfied with [a] a topical database which would contain references on specific param-agnetic systems (i.e. compound/ion or species) and a searchable list of topics dealt with in a given sourcepaper, OR [b] it is essential to retrieve from the database the numerical data on the parameters describingEPR spectra (i.e. ZFS and Ze parameters)? [c] no opinion.B5-Preferred type of software to be used: [a] commercial, [b] specially developed, [c] adopted from a relateddatabase system, [d] no opinion.B9-In your opinion should the EPR-database comprise data on [a] particular chemical structures only (atleast at the initial stages of development)-then please name these structures OR [b] all chemical structuresstudied by the EPR technique?BlO-Would you like to become a member of [a] a panel of potential EPR-database users which will workout the User Requirements Report, [b] a group which will develop and test a prototype of EPR-database, [c]a committee which will work out "Recommendations for EPR Nomenclature and Conventions pertaining tospectra of spin S>l/2 systems".

present coding, a more comprehensive one based onthe five groups (a-e) used above, provided it is tech-nically feasible within the existing IES membershipdatabase.

III. Concluding remarks

It had been planned to produce and test a small-scale prototype at the second stage of the EPRdatabase project. To this end a detailed study ofalternative EPR database structures has been car-ried out using the results of the survey concern-ing the demands on the data structure and possi-

ble query systems. Since the present feedback hasbeen insufficient, the project could not go beyondworking out the framework of a small-scale proto-type database, whereas its actual implementationhas been postponed. The aspects arising from thissurvey and pertaining to the feasibility of a full-scale EPR database as well as the database struc-ture and organization could be discussed in detail inthe Feasibility Study Report. The alternative EPRdatabase structures as well as several scientific andtechnical questions pertinent to the EPR databaseand related projects could also be dealt with therein.

The experience gained during this project can beutilized in future provided there is sufficient support

Vol. 16, No. 3/4 237

medium22%

Figure 11: Answers to B8 - the scale of the EPR-database.

Figure 12: Answers to Bll - Do you know of any other EPR-related databases?

from the EPR community and EPR-related organi-zations for the continuation of the EPR databaseproject to its full completion. The present situationin this regard has been succinctly evaluated by Prof.G. Eaton, who has suggested [EN 5/2, 6 (1993)]:"Greater support from the membership is needed to

justify the effort involved, and there should be a com-mittee to oversee the implementation". The author'spersonal and open interaction with EPR researcherswas helpful and supportive for the project, while thequestionnaires probably tended to generate a vari-ety of negative feelings and annoyance at yet an-

other time-consuming intrusion. Thus even thoughthe response rate was low we believe that the viewsexpressed represent those of the EPR communitymembers as a whole. This survey has enabled us tolearn about some qualitative trends. We ended upwith the strong conviction that increases in supportof the EPR database and the related projects fromEPR organizations are vital for the continued healthof the area. The grants must be made available, thetangible support by EPR organizations must be of-fered, if we expect more than the present efforts.

Finally, the author would welcome further re-

238 Bulletin of Magnetic Resonance

sponses as well as any comments on the EPR-database project and the related ones, their fea-sibility, resources available and/or required, andstrategy for future development. Full set of thequestionnaires and attachements is available fromthe author (FAX: 852 788-7830, Email: APCES-LAW@CITYU.HK). It is hoped that this paper willencourage wide consultations within the EPR com-munity.

AcknowledgmentsWe thank City Polytechnic of Hong Kong for

financial support for this project. We would likealso to thank those researchers who took their timeto complete the questionnaires. Helpful correspon-dence with Dr. H. Kon and Prof. J.R. Durig isgratefully acknowledged.

IV. References^udowicz, C. 1990, 13th International EPR

Symposium, Denver [abstract].2Rudowicz, C. 1991, Bull. Magn. Reson. 12,

174.3Rudowicz, C. 1993, 16th International EPR

Symposium, Denver [abstract].4Kon, H. 1989, Pure & Appl. Chem. 61, 2195.5Durig, J.R. 1990, private communication.6Rudowicz, C. 1985, J. Phys. C18, 1415; ibidem

C18, 3837.7Rudowicz, C. 1987, Magn. Res. Rev. 13, 1;

1988, ibidem 13, 335.