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An Interactive Guide for Electronic Publishing / Examples from Chemistry
With Links to Tools, Explanations, and to Examples
Hans-Jörg Schneider
FR Org.Chemie der Universität
des Saarlandes
D 66041 Saarbrücken, Germany
ch12hs@rz.uni-sb.de
We have developped general guidelines to produce and to use or to evaluate electronically
transmitted data and reports, with an emphasis on chemistry . In no
other field of science there is such a proliference in data
production. In traditional publication techniques these data are
mostly lost, at least in their original form. Often synthetic or
natural compounds need to be re-made with possibly prohibitive costs
only to obtain data which were not preserved in the original
reports. Published reports usually only contain "edited"
data, which are based on often biased interpretations of the authors;
if the original data are preserved these can be re-analyzed later ,
e.g. with new techniques, and corrections of possible errors.
The barrier to overcome these problems is possible, if authors, editors,
reviewers and publishers will have a better and stimulating access to
the many now available electronic techniques to handle complex data
structures. This is the aim of our guidelines, and will be
demonstrated with several examples.
The development of this interactive guide was funded by the German GlobalInfo project.
Contents:
- Why and where to use electronic
tools
-avoiding loss of valuable data
submitting, reviewing, editing,
reading/analyzing reports selected journals and platforms
- Numerical material (tables, text, etc.)
simple formats like ASCI /
*.txt, RTF; HTML; also with WORD etc.
- 2D/3D
formulas
e.g.
with ChemDraw (CDW), ISISdraw, etc.
- 3D structures (3-D coordinates, "hypermolecules")
formats e.g. *.pdb;
*.ent (PDB), *.cif, *.mol
CHIME, Rasmol, ORTEP III, WebLabViewer
etc.
- Spectra
formats:
JCAMP, JPEG
NMR e.g. MestRe-C, WinNMR, ACD/SpecViewer etc.
- Animations of e.g. reaction sequences
from MO, FF, MD calculations etc.
format: mpeg, avi, etc.
- >Measured data e.g. equilibria, kinetics
e.g. with ORIGIN, SIGMAPLOT, SpecFit, EXCEL, Hyperquad
- View files / images
formats:
e.g. GIF, TIFF, JPEG
- Interactive
images
e.g.
material surfaces from supermicroscopy
blaxxun, Cortona,
CosmoPlayer, etc.
Link:
http://www.uni-saarland.de/fak8/schneider/globalinfo/frame3.htm
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