Spectrus: How to make Multiplet Report Window to be visible in NMR Reports

Description

Solution

Spectrus Processor manages multiplet reporting through two distinct operational modes:

1. Auto (Automatically Detected Multiplets): Applied to multiplets generated via automated peak picking and baseline analysis routines.

2. User Modified (Manually Edited Multiplets): Applied whenever a user adjusts integration ranges, splits/merges peaks, changes multiplicity, or manually assigns peaks.

Each mode maintains its own independent reporting options and template settings. If the Journal Template is configured only under Auto, any manual alteration to a multiplet triggers the User Modified mode, causing the report output to fall back to the default format.

To ensure the preferred template (e.g., JOC) is applied across both automatically generated and manually edited multiplet's reports, configure the template under both modes:

1. Open your 1D NMR spectrum in ACD/Spectrus Processor.

2. Navigate to the Multiplet Report interface (via the NMR Analysis toolbar or by right-clicking the multiplet table/widget).

Configure Template for Auto Mode

1. In the Multiplet Report dialog, locate the mode selector and select the Auto radio button/tab.

2. Click the Options... button.

3. Under the Report Type section:

   • Enable the Journal Template checkbox.

   • From the dropdown list, select your target template (e.g., JOC / Journal of Organic Chemistry).

4. Click OK to save the changes for Auto mode.

Configure Template for User Modified Mode

1. In the same Multiplet Report dialog, switch the mode selector to User Modified.

2. Click Options..

3. Under the Report Type section:

   • Enable the Journal Template checkbox.

   • Select the identical template (JOC) from the dropdown list.

4. Click OK to save the changes for User Modified mode.

Verify Formatting & Persistence

1. Generate test reports using both automated and manually edited multiplet signals.

2. Test both output methods:

   • Copy to Clipboard (verify the pasted text string matches the JOC style.

   • ChemSketch / Layout Report (.sk2 templates) to confirm integration consistency.