Rendering / Scaling of chemical structures in KNIME Reports

[Sebastian_Rohrer]

Hi all,

I am trying to compile a report containing chemical structures and statistical data calculated with R nodes.

Basically each line contains a Structure-ID, a picture of the structure and some further columns with data.

I would like to have the structure in a size, that's visually easily perceptiple, say 4 x 4 cm. I can set this in the report layout, but when I export the report to PDF or HTML, the pictures of the structures are of very low quality, i.e. very pixelated.

This is independent of the renderer I use, I tried RDKit and CDK.

What am I missing here?

Thanks,

Sebastian

[wiswedel]

Hi Sebastian,

Two comments:

 - you can set a resolution in the Data To Report node (set a high resolution and scale it down in BIRT?)

- for PDF image resolution, read this thread here: http://tech.knime.org/forum/knime-reporting/chart-quality

 (We have yet to get dynamic SVG images enabled in the reporting. We looked into it but it turns out not to be easy.)

Regards,
  Bernd

[richards99]

I initially had this problem of poor quality images, as Bernd says, increase the resolution  in the Data to Report node (in the KNIME Workflow, not in the Report designer) and I found a setting of 400 x 400 custom image scaling was very good. And in the report my structures were added as Dynamic Images.

 

Simon.

[Sebastian_Rohrer]

Thanks guys, that helped!