Spectrus: Add Editable Comments and Structure Labels to the NMR Report Templates

Description

A user may need to add editable text comments, annotations, or status labels (such as "Proposed" or "Selected") to individual records in the NMR Table of Structures within a report template.

Common scenarios include:

• Adding a free-form comment for each spectrum or sample in the report
• Labeling or highlighting which structure is the proposed/selected candidate
• Displaying per-record annotations without disabling the "Protect Content" setting on the NMR Table of Structures

The recommended approach for all of these scenarios is to use the User Data mechanism in Spectrus Processor, which allows you to create custom text fields that flow automatically into report templates.

Important: There is currently no built-in highlight or color-flag feature for a specific structure row in the NMR Table of Structures while the "Protect Content" checkbox is enabled. The workarounds above (User Data labels, overlay text objects) are the supported alternatives.

Solution

Method 1: Add an Editable Comment for Each Record (Recommended)

Use a User Data field in Spectrus Processor to create a per-record text comment that displays in the report:

1. Open your NMR project in Spectrus Processor.
2. In the User Data panel, right-click and select Manage Data Names → New.
3. Create a new field:
   • Name: e.g., "Comment" or "Notes"
   • Type: Plain Text
4. Enter your comment or annotation in this field for each spectrum/record.
5. Open the report template in ChemSketch template editor.
6. Add a User Data window to the NMR Table of Structures section.
7. Configure the window to display the new "Comment" field.

Each record's comment will now populate automatically in the generated report.

Method 2: Add a Fixed Text Box to the Report Template

If you only need static (non-per-record) text in the template:

1. Open the report template in ChemSketch template mode.
2. Insert a Text or Free Text object from the template editor toolbar.
3. Position it where needed in the report layout.
4. Enter your desired text.

Note: This text is part of the template design and is the same for all records. It is not dynamically linked to per-sample data. For per-record comments, use Method 1.

Method 3: Label or Highlight a Selected/Proposed Structure

To display a label such as "Proposed" or "Selected" next to a specific structure in the NMR Table of Structures without disabling the "Protect Content" checkbox, use one of these approaches:

Option A — User Data Field (Recommended)

1. Create a User Data field named "Status" (Plain Text type) as described in Method 1.
2. For the relevant record, enter a value such as "✓ Proposed" or "Selected".
3. Map this field to a User Data window in the report template — it will appear as a column in the NMR Table of Structures.

Option B — Overlay Text Object

1. In the report template editor, add a separate Text object positioned near the structure area.
2. Enter your label text (e.g., "Proposed Structure").
3. This object sits outside the protected table, so it does not require Protect Content to be disabled.

Option C — Scripted Conditional Data Name

1. Create a User Data field with a Pascal script that auto-populates a "Status" label based on defined criteria.

2. Map the scripted field to the report template as in Option A.

   Note, this option may need help from Services.