Batch fields allow for customization of compound registration business rules to suit each vault’s needs.
In this article we go over batch field definition by the vault administrator. We cover adding new fields, editing and deletion of existing fields.
Formal chemical registration in CDD enforces batch (or lot) registration. Data associated with batches, such as unique identifiers, vendor information, date of synthesis, and chemists name, just to name a few, are stored in batch fields. CDD auto-generates several batch fields in any new vault, but these may be customized by the vault administrator to suit each vault's business rules and needs. Existing batch fields may be edited or deleted, and new fields may be added at any time.
Moreover, batch fields apply to vaults with and without formal chemical registration, and are fully integrated with CDD’s data import and validation, allowing each group to ensure that pertinent batch-level data is captured correctly for any newly registered batches. As a best practice, we recommend that you consider your molecule and lot registration process and requirements as soon as you subscribe to CDD, and define your custom list of batch fields before importing compound libraries.
Batch Field Definition
Here's an example of one vault's batch fields, utilizing all of the available settings. We will refer to this screen-shot in the table below, describing the options.
|Name||Pick a unique name for the field. This name will appear throughout the application. Include units of measurement for numeric data: see "amount" example in the screen-shot above.||Changes apply to existing and new batches throughout the application.|
Set the kinds of values that are permitted for a given field.
|Not editable if there are values in the database.|
|Must be Unique||Check this flag to ensure that values in the field are unique across the vault (batches/molecules/projects). This is a good way to designate additional batch identifiers, such as lab notebook number or vendor lot number: see "external identifier" example in the screen-shot above. For multiple unique fields, values are validated within the scope of each field, but will not be checked across fields.||Changes are prospective: applicable to new batch registration, and upon manual editing of existing batches.|
|This field is||
This setting determines how this field is to be populated during new batch registration.
|Changes are prospective: applicable to new batch registration, and upon manual editing of existing batches.|
Add a New Field
Batch Fields are defined only by the vault administrator, and apply to all molecules and batches across all projects in the vault.
Click on “Add/Edit Batch Fields” on the Registration Rules sub-tab of the Vault Settings page.
At the bottom of the current list of fields, click on the “Add a batch field”, enter a unique name for the field, and set the available settings: data type, uniqueness flag, and required/optional status. Do not forget to save your work by clicking "Update batch fields" button.
A newly defined field will appear throughout the application, even if there is no value for this field on existing batches: in the import interface, on the search page keywords drop-down and results table, as well as in batch details view, and new batch registration form.
Edit an Existing Field
The steps to edit an existing field are similar to adding a new one. Once in edit mode, change the settings that are available to you. Note that if any data is stored within the field you are editing, you will not be able to change it's data type. Field name change is applied to all batches, but if you are changing field requirement or uniqueness, the new business rule is prospective, meaning it will not apply to previously registered batches. Manual editing existing batches will enforce new rules. Batches may be updated to compliance either manually, or via file import.
Remove an Existing Field
In edit mode, click “Remove” next to any batch field. Caution: when you remove an existing field, you are permanently deleting all the values stored in that field across the vault. You may want to do a back-up of your data before deleting a field.
In edit mode, rearrange fields by clicking the “drag” icon. The order defined on the Registration Rules tab will determine the order of fields in the rest of the application, including the batch creation form, and the search page.