Databases for Ligands

As part of the goals of this SCOR WG 139 existing data for the ligands were to be assembled into databases. The collection is done by specific people, who can be contacted to add data or to get information about specific data. Below you find a table with information on these databases.

MetalPerson in chargeEmail Contact

Download the EOS article on the SCOR WG 139 (

Copies of invited talks given during the second meeting on new developments can be downloaded. Please ask permission from the authors if you use some of their presentation for teaching of research purposes and acknowledge the source. Thank you.

Presentations held during 3rd SCOR WG 139 meeting in Hawaii Feb 2014:

Presentations held during 2nd SCOR WG 139 meeting in New Orleans Feb 2013:

Simulated complexometric titration data as used in the intercomparison exercise. If you want to test your evaluation method please download the data and follow the instructions. You should do this a s a blind test. The correct parameters are in a separate file. Please unzip the file first

Dr Dario Omanovic from the Rudjer Boskivic Institute in Zagreb, Croatia has developed a stand-alone windows program to fit single window complexometric titrations, called ProMCC, as well as a program to back calculated titrations called BackCalc. Both programs need the Fitter.dll. Please read the instructions for installing fitter.dll. Please see Intercomparison of simulated titration data_SCOR WG 139_2014 (Sander, Pizeta, Hudson) for how to cite these programs.

Assoc Prof Bob Hudson from the University of Illinois, USA developed a program to treat multi detection window titrations as a united dataset. Please visit his webpage to download KINETEQL Multi-window Tool ( We will post a manual for this program as soon as we can, watch this space. Please see Intercomparison of simulated titration data_SCOR WG 139_2014 (Sander, Pizeta, Hudson) for how to cite this program.

IUPAC article on SCOR WG 139

SCOR WG 139 themed Marine Chem special issue

SCOR WG 139 themed Frontiers special issue - still open for submissions until 31st March 2016!