2.
For both, aggregated and disaggregated data, calculate 95th percentile of values by monitoring site and substance; then exclude any records that are more than 1000-fold above the calculated 95th percentile of the corresponding monitoring site and substance. This should exclude errors arising from incorrect units.
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Previous comments
Exceedances should generally be analysed in more detail, not just when >1000-fold. For example: clarification is needed whether all the exceedances result from a specific point in time or a specific site?