Figure 1
Graph showing the number of structures deposited each year since 1997. The computer script requires that there be a concentration (a number) and unit (text string) for each chemical species in the REMARK 280 field. The majority of the cases where data could not be automatically extracted had one or more chemical species with no corresponding concentration or unit value. The red portion of each bar shows those structures with a REMARK 280 which fulfilled the `concentration, unit, species' requirement but were not parsed by the script. The blue portion shows the proportion of structures that were parsed by the script. |