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140 lines (119 loc) · 3.3 KB
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# =============================================================================
# NMR Quantification Project - Git Ignore
# =============================================================================
# -----------------------------------------------------------------------------
# Raw Data Files (Large, shouldn't be version controlled)
# -----------------------------------------------------------------------------
# JCAMP-DX NMR data files (raw spectra)
*.dx
raw_data/
# -----------------------------------------------------------------------------
# Generated Output Files (Reproducible from scripts)
# -----------------------------------------------------------------------------
# Quantification results
quantification_results/
integration_results/
tsp_corrected_spectra/
# CSV output files
*.csv
# Archive files
*.tar.gz
*.zip
# -----------------------------------------------------------------------------
# Analysis Figures (Generated by scripts, can be reproduced)
# -----------------------------------------------------------------------------
# All PNG files (generated plots)
*.png
# Individual analysis plots
*_quantification.png
*_analysis.png
*_comparison.png
*_check.png
*_region.png
*_example.png
# Specific named output figures
alanine_*.png
arginine_*.png
asparagine_*.png
aspartate_*.png
glucose_*.png
glutamate_*.png
glutamine_*.png
isoleucine_*.png
lactate_*.png
leucine_*.png
methionine_*.png
phenylalanine_*.png
tyrosine_*.png
valine_*.png
# Other generated figures
figure*.png
lmfit_*.png
lineshape_*.png
nmr_*.png
peak_*.png
tsp_*.png
water_*.png
# -----------------------------------------------------------------------------
# Large Documentation Files
# -----------------------------------------------------------------------------
# Excel files (raw data, too large for git)
*.xlsx
*.xls
# PDF files (SI, papers, etc. - too large for git)
*.pdf
# -----------------------------------------------------------------------------
# Python Cache
# -----------------------------------------------------------------------------
__pycache__/
*.py[cod]
*$py.class
*.so
.Python
# -----------------------------------------------------------------------------
# IDE and Editor Files
# -----------------------------------------------------------------------------
# VS Code
.vscode/
*.code-workspace
# PyCharm/IntelliJ
.idea/
*.iml
# Jupyter Notebook
.ipynb_checkpoints/
*.ipynb
# -----------------------------------------------------------------------------
# OS Generated Files
# -----------------------------------------------------------------------------
# macOS
.DS_Store
.AppleDouble
.LSOverride
# Windows
Thumbs.db
ehthumbs.db
Desktop.ini
*$RECYCLE.BIN/
# Linux
*~
.nfs*
# Windows Zone.Identifier files (downloaded from internet)
*:Zone.Identifier
*.Zone.Identifier
# -----------------------------------------------------------------------------
# Temporary Files
# -----------------------------------------------------------------------------
*.tmp
*.temp
*.bak
*.swp
*.swo
*~
# -----------------------------------------------------------------------------
# Logs
# -----------------------------------------------------------------------------
*.log
logs/
# Allow latest quantification results in results/quantification/
!results/quantification/quantification_summary_v3.csv
!results/quantification/*_v3_ref20_quantification.png