Merge data based on Structure

User 7b0ee04e66

23-10-2013 07:50:41

Good morning

Is it possible to merge data in Instant JChem based on a structure ?

e.g. we have an SD file with strctures and X columns of data

and another SD file with structures with Y columns of data, some of the columns overlapping with the previous files.

Is it possible to import the first SD file into IJC, and when importing the second one to update data when the value was missing or overwrite when the same structure is found ?

Let me know if you need more information



ChemAxon 2bdd02d1e5

23-10-2013 13:53:11

Hello Catherine,

This is not easily doable with import wizard only.

Both files would have to be imported into two separate entities.

You may identify duplicates between entities by using Overlap Analysis and subsequently export them. Overlap analysis will create Overlap hits column, showing ID of duplicate in other entity. This ID may subsequently be used for merging. However it would be problem to do it semi-automatically if there are more duplicates within the set.

Therefore you may want to forbid duplicates in the entity during the import first. In the first step of Import wizard, click to "..." button next to "Table details" and check "Duplicate filtering" option.

[1] Merging data user's guide
[2] Tutorial about merging data
[3] Overlap analysis in user's guide and as tutorial

Hope this workaround helps.