The repository can be used to disclose data assigned to molecules (samples) or reactions and their products. The easiest way to enter data to the repository is to transfer already available datasets and information from the Chemotion-ELN to the repository. If you are not using the ELN, you can add the data via upload of files. In both cases, your data is available via your personal account and is not visible to others. The disclosure of stored or uploaded data is done in a second step (described in the Publication and Review Process part of the usage hints) and requires your submission. For any questions, please don’t hestitate to contact us.
Adding data without ELN support
To add data to the repository, you have to follow five steps:
You may have a look on Youtube where we added an example of how to add data after step 5:
(1) create an account
(2) select “My DB”
(3) select “My data”
(4) draw a molecule
via the editor
INFO: add a molecule is only one example. You can add reactions as well by selecting reactions and addition of molecules in their function as starting material, reagent or product.
(5) add data
Add data to the new item (e.g. analysis files) or others via the information fields. Please ensure that the mandatory information is given, otherwise, the submission will not be processed.
Transfer data from Chemotion ELN
The transfer of data directly from the Chemotion ELN to the repository is the easiest way to disclose your data in only a few steps. The transfer of data makes the time consuming upload of data obsolete.
(1) create a personal account in the repository (see issue (1) above)
(2) Select data in ELN
Go to your ELN and select the data (data assigned to molecules or reactions) you want to disclose and select the assign to button.
(3) Assign your data
Assign the data to the collection “chemotion.net”
(4) Transfer your data
Press the cloud button and follow the instructions given in the black box. If you transfer data for the first time, you have to click the cloud button twice. The first time creates a token to transfer data, the second click initiates the transfer.
If you return to your account in the repository, the data can be found in the collection “ELN Gate”
(5) Check in Repository