SPECTRa Questionnaire (1)

8/4/2019 SPECTRa Questionnaire (1)

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The Use of Computers and theInternet in Chemistry Research

Attitudes and Customs: Questionnaire

All responses will be treated in strict confidenceand the anonymous results will published in the

JISC report at the end of the project.

Please return completed to:

Department of Chemistry Library,

University of Cambridge,

Lensfield Road,

Cambridge CB2 1EW

Or e-mail it to: [email protected]

SPECTRa : A Digital Repository for the Chemical Community

http://www.lib.cam.ac.uk/spectra

SPEC

TRa



SPECTRa: S ubmission, P reservation and E xposure of C hemistry T eaching and R esearch Dat a

SPECTRa is an eighteen month project, run jointly between The

University of Cambridge (lead) and Imperial College London, which will

develop a set of customized software tools to enable chemists to

routinely deposit experimental data, much of which is currently lost, in

Open Access digital repositories.

Why are DIGITAL REPOSITORIES important?

An increasing proportion of an academic institution's output is being

created in digital format - reports and publications, scientific data sets,

multimedia objects - and digital repositories are seen as part of the

institution's effort to acknowledge the importance of these objects as

digital assets and to ensure their long-term preservation and availability

for future access.

N.B. It may be mandated by funders or academic processes in the future

that all experimental data produced will be stored or saved in Open

Access digital repositories.

Thank you for taking the time to complete thisquestionnaire, your answers are greatly appreciated .



The Use of Computers and the Internet inChemistry Research

The aim of this survey is to determine the level of computer and Internet use inchemistry research today and investigate the cultural issues in capturing and re-usingscientific data.

PLEASE COMPLETE USING CAPITALS AND BLACK INK OR TYPE

A: Personal Background

1. Chemistry Discipline

Atmospheric Chemistry and Kinetics

Chemical BiologyMaterials and Polymer Synthesis

Molecular Informatics and Molecular Modelling (Computational Chemistry)

Spectroscopic and Structural Methods and Structural Chemistry

Surface Science and Heterogeneous Catalysis

Synthetic Chemistry

Theoretical Chemistry

Other (please specify)

2. In order that we might better understand the way that you generate and usedata, please would you identify your own role by selecting from the followinglist:

Professor

Reader

Senior Lecturer

Lecturer

Post Doc / Research Fellow

Ph.D. Student (please specify which year) Year : 1 2 3 4

Other

3. Who funds your research? (please select all that apply )

Research Councils (e.g. EPSRC, BBSRC etc.)

Industrial CASE Awards

Other

SPEC TRa



B: Use of Computers

4. How often do you use a computer for the following?

For scientific research Daily Weekly Monthly Yearly Never

Intend toin thefuture

Searching for papers

Researching backgroundinformation

Instrument control

Programming e.g. VisualBasic etc.

Chemical Drawingpackages e.g. ChemDraw

Journal submission

Other (please specify )

Personal use Daily Weekly Monthly Yearly Never

Intend toin thefuture

E-mail

Internet

Music downloading

Banking

Weblogs

Shopping

Games

Other (please specify )

5. Which chemical drawing software do you use?

ChemDraw ISISDraw Other (please specify):

Please select which file format you use the most from the file types listed:

ChemDraw cdx (standard ChemDraw File) MDL skc (standard ISISDraw File Format)

Alchemy File Format MSC (XMol) XYZ Format

Sybyl Mol 2 Format CHARMm File Format

MDL Molfile Format MOPAC File Format

Brookhaven Databank (pdb) Other ( please specify ):



6. Which Internet resources do you use and how often?

Never heardof it Daily Weekly Monthly Yearly Never

Beilstein / GmelinDatabase

SciFinder Scholar

Web of Knowledge

Science Direct

Google Scholar

NIST(National Institute

of Standards andTechnology)

Chemical DatabaseService (CDS)Daresbury Lab

CrystalWeb -Cambridge Crystal DataCentre

Protein Data Bank

Other ( please specify)

7. Have you ever been trained to use any of the following IT applications?

Professionally Trainede.g. Departmental course or

Institutional training (library etc.) Word of mouthtaught by other research group

members

Self-taughtIf YES please tick Box 1 and alsotick Box 2 if this course was at the

University of Cambridge

1 2

Word

Excel

Beilstein/Gmelin

SciFinder Scholar

Web of Knowledge

Endnote / ReferenceManager

Science Direct

Using e-journals/Publishers websites



8. Do you access journals and download papers directly from the publishers’websites?

Daily Weekly Monthly Yearly Never

9. After downloading papers in PDF format, how do you file them? Yes No

Manually filed them on to your computer

With additional software e.g. EndNote, Reference Manager

You don’t, if you need the paper again you’ll download it again

Never download papers

10. Do you know how many Acrobat files (PDFs) you have on your computer?

1 – 100 files

100 – 1000 files

1000+ files

Have no idea

11. When wanting to inform colleagues of interesting papers, which of thefollowing do you consider doing?

Send your colleague the reference and expect them to find or download the

paper themselves.

Send your colleague your downloaded Acrobat file (PDF).

Send your colleague the URL or DOI of the paper so they can download itthemselves.

None of the above.

12. Do you submit supplementary/supporting information/data whensubmitting a paper?

Always Often Occasionally Rarely Never

13. If do submit supplementary/supporting information/data, which fileformats do you use to submit you data? (please select all that apply)

PDFs

Image (jpeg, gif, tif)

Word processor document (Word, WordPerfect, rtf, txt)

Graphics/text scripting language (PostScript/EPS, LaTex)

Binary chemical structure file (ChemDraw cdx, ISIS/Draw skc)ASCII chemical structure file (CIF, CML, MDL molfile)




C: Experimental Data Storage

14. How do you currently store your experimental data?

Raw Data, Images and SpectraPlease select all that apply and how you store them:

Data type

Lab book or

hard-copy

Stored

electronically

Both

(electronically andas a hard-copy)

Sample description

Experimental procedure/Workup

Melting point

Mass Spectrum Peaks

Elemental/micro analysis

UV-vis

NMR (any type)

Fluorescence

Phosphorescence

IR (any type)

Images e.g. photographs etc.


15. In what formats do you store the initial raw data? (Please select all that apply and

estimate how many of these files you create in a year)

Number of filesDo not know how

many - but doproduce some1-10 10-100 100-1000 1000+

.txt/ASCII

.csv

Excel/.xls

.pdf

HTMLXML

Word/.doc

Chemical Structure File

Images (.jpg, .tif, .gif or .bmp)

Spectra Proprietary Format(Bruker/Jeol/etc.)

Spectra Non-proprietaryFormat (JCAMP-DX)

Hard-copy




16. In which format do you store/save your analysed data?

e.g. UV-vis, Phosphorescence, MS, HPLC etc. (Please select all that apply)

Number of filesDo not know how

many - but do producesome1-10 10-100 100-1000 1000+

.txt/ASCII

.csv

Excel/.xls

.pdf

HTML

XML

Word/.doc

Chemical Structure File

Images (.jpg, .tif, .gif or .bmp)

Spectra ProprietaryFormat (Bruker/Jeol/etc.)

Spectra Non-proprietaryFormat (JCAMP-DX)

Hard-copy


17. How does your research group currently archive/file experimental and

analysed data?Please indicate which is the most common forms of data storage that you are awareof within your research group: (please select all that apply)

Raw Data Analysed Data

Group computer

Instrument’s computer

Zip Drive

Lab-books

DVD/CD

Photocopies/Hard copies

USB drivers/memory sticks

Other (please specify):

18. Have you ever disposed of your research data due to storage problems?(Either electronic or hard copy).

Yes, due to lack of long term storage

Yes, due to obsolete file formats

Yes, due to the loss of technical expertise e.g. losing a member of staff

No, never had a problem with storage



D: Digital Repositories

19. Do you know what any of the following are?

Yes No

MetaData

DOI (Digital Object Identifier)

InChI Strings

JCAMP-DX

Open Access (Open Access online resources e.g. repositories etc.)

Semantic Web

RDF (Resource Description Framework)

CAS RN (Chemical Abstracts Service Registry Numbers)

20. Did you know what digital repositories were before this study?

No, never heard of them

Yes, heard of them but not clear what they are

Yes, know what they are but unaware of how to use them

Yes, know what they are and using one

Yes, know what they are but do not plan to use them

21. What would be your favoured method of accessing/searching a chemistryresearch data repository? (please select your top four)

Structure

Sub-structure

Systematic Compound Name

Chemical Formula

Date (e.g. date created)

Project Title

Author/Creator Names

InChI String

Subject Keywords

Project reference number/ experimental identifiers – lab-book number




Ph.D. Students ONLY please answer Questions 22 and 23 Academics and Post Docs please go to Question 24

Please feel free to add any extra comments relating to this subject in thespace provided in Question 28

22. If it was possible to electronically store and search all of the usefulexperimental data produced by your research group, what would you use thisfor? (please select only the most important answer to you)

Background information on your area of research

As a comparison or reference for you current work

For structure confirmation


23. What factors would encourage you to store your research data in an openaccess repository? (please select the two which are the most important to you)

As a permanent back-up of your research data for report writing e.g. your thesis

Easy way to store your files when preparing reports over three years

Easy way to prepare and sort, in advance, possible spectra/data to be included inyour reports

Easier access to your group’s research for reference proposes e.g. resultverification, structure elucidation, background reference data.

Career preparation – familiarisation with the methods of storage and referencingdata in industry

Potential benefits to the research community

No obvious benefits




Academics and Post Docs ONLY please answer

Questions 24 – 27

24. What factors would encourage you to voluntarily share your research datain an open access repository? (please select the three which are most importantto you)

To provide long-term preservation of my digital research materials.

Demonstrable benefit to my research profile (this may be improved status,future funding or new research

Potential benefits to the research community

Easier access to the research data required for journal submission

Enabling collaboration and contributions by others

Improved visibility for my research

Restricted access to your research until successful publication, either local(group), departmental, institution or global access

Embargo on research data for 3 -5 years from the start of a project

Secure data storage


25. If your funding body mandated publishing in an Open Access repository

would you ...?Comply

Seek another funding source

Don’t know – have not given it any thought.

26. Do you know what your funding bodies’ positions are on Open Accesspublishing/repositories?

Yes

No

27. If your funding body issued a statement promoting voluntary deposition of your research into an Open Access repository, how would this affect your likelihood of using Open Access repository in the future?

More likely to deposit

Less likely to deposit

About the same

Don’t know



28. If you wish to make any additional comments on this subject please feelfree to do so in the space below:

AND FINALLY

Thank you for taking the time to complete this questionnaire.We recognise that this questionnaire cannot capture all the

important attitudes and opinions of the chemistry researchcommunity. Consequently we shall also be conducting shortinterviews to explore and contextualise the responses givenhere in person.

Would you be happy to participate in one of theseinterviews?

If yes, please add your e-mail address below:

For further information:

SPECTRa website: www.lib.cam.ac.uk/spectra

JISC website: www.jisc.ac.uk

Information about InChI www.iupac.org/inchi

Information about Research Council'sOA policies

www.sherpa.ac.uk/juliet

Information about Open Access:

www.plos.org/oa/index.html

or e-mail: [email protected]


http://www.jisc.ac.uk/

http://www.iupac.org/inchi

http://www.sherpa.ac.uk/juliet

http://www.plos.org/oa/index.html

mailto:[email protected]


http://www.jisc.ac.uk/

http://www.iupac.org/inchi

http://www.sherpa.ac.uk/juliet

http://www.plos.org/oa/index.html

mailto:[email protected]

SPECTRa Questionnaire (1)

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