danielnrainer/CIVET: v1.1

Release Notes for CIVET v1.1 🎯 Major New Features Enhanced suggestion options for checks Support for several suggested data values: Multiple suggested data values can be specified per data name in .cif_rules files Dropdown menu in field dialogs: Data values can be selected from dropdown menus in the field checking dialogs Legacy notation as default Legacy formatted CIF data names recommended: Discrepancies and uncertainties surrounding modern CIF data name notation Legacy notation for now the recommended formatting option This will be changed when modern notation (and/or conversion to it) is more robust Warnings displayed for CIFs in modern notation: Procedures that would lead to CIFs in modern notation will result in a warning being displayed Malformed Field Name Detection and Correction Automatic Detection: CIVET now identifies incorrectly formatted CIF field names that use only underscores instead of the proper category.attribute format Smart Correction: Suggests the correct modern field name by intelligently analyzing the field structure Example: _diffrn_total_exposure_time → _diffrn.total_exposure_time Prevents Duplicates: Fixing malformed fields before validation prevents duplicate entries (one from the original CIF, one added by checks) Manual Access: New menu item CIF Format → Fix Malformed Field Names... for on-demand checking Integrated Workflow: Enabled by default in the pre-check cleanup phase of field validation ✨ User Experience Improvements Enhanced Validation Workflow Pre-Check Cleanup: New configuration section for automated corrections before validation Clearer Dialogs: Improved button labels in input dialogs Changed "Use Default" to "Use suggested (default) value" for clarity Better Workflow: Malformed field fixes run before standard field checks, streamlining the validation process Updated Configuration Dialog New "Pre-Check Cleanup" section with "Fix malformed field names" option (enabled by default) Recommended options now clearly marked with bold styling Expanded dialog width for better readability (450px → 500px) 🐛 Bug Fixes Field Rules Corrections 3DED Field Rules: Fixed flux density unit description Changed from e-/Ų to e-/Ų/s (added time component) CIF 2 header CIF 2 header by default: A CIF 2 header is now added by default as CIVET strives to adhere to CIF 2 syntax (e.g. UTF8 support) 🔧 Technical Details New Methods in CIFDictionaryManager find_malformed_fields(content): Scans CIF content for incorrectly formatted fields _guess_modern_equivalent(field_name): Intelligently guesses correct modern field names fix_malformed_fields_in_content(content, fixes): Applies corrections to CIF content Updated Components config_dialog.py: New pre-check cleanup configuration group main_window.py: New fix_malformed_field_names() method New _fix_malformed_fields_before_checks() workflow integration Added menu action for manual malformed field fixing input_dialog.py: Clearer button text for user actions 🎓 Use Case This release specifically addresses issues with CIF files generated by data processing pipelines that output field names using incorrect formatting. For example: Before v1.1: Pipeline outputs: _diffrn_total_exposure_time Validation adds: _diffrn.total_exposure_time With v1.1: CIVET detects malformed: _diffrn_total_exposure_time Automatically suggests: _diffrn.total_exposure_time User approves correction 🙌 Acknowledgments Dr Arianna Lanza is thanked for continued testing and feedback. Dr James Hester is thanked for testing and feedback on many things CIF. This software was developed primarily using Anthropic's Claude Sonnet 4.5 AI assistant. Full Changelog: https://github.com/danielnrainer/CIVET/compare/v1.0...v1.1