A HyperQuad Data file, extension HQD, is a text file that conforms
to XML rules. It consists of three sections.
- The model. This contains values of the stability constants and the stoichiometry
of the complexes which are present in solution. The model section is common
to Hyperquad, HypSpec or HypNMR and HySS.
- Experimental data. This section contains the data for Hyperquad, HypSpec
or HypNMR. The sections are labeled so that they will be recognized by the
- HySS data. Contains both the data required for simulation and for speciation.
An HQD file may be created in any program. For example, if the file is created
in HySS during preliminary simulation, Hyperquad
data may be added later. Another example is to add HySS data after the stability
constants have been refined in order to produce speciation diagrams for publication.
Contents > Planning:
Preliminary | HQD file
|Estimation | Simulation