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R Script System
Multi-Sample Comparison with ANOVA & Tukey HSD Post-hoc Tests
1. Upload Excel File
Instructions: Upload an Excel file with raw data. The file should have:
Example format 2 (Group only - for category totals):
- First column: Group (required) - e.g., "total aldehyde", "total alcohol", "alkane", etc.
- Optional columns: RT, Name, IR, CAS (in any order after Group)
- Subsequent columns: Column headers with format "SampleName_RC1", "SampleName_RC2", "SampleName_RC3" (underscore or space also accepted)
- Data cells: Relative content (RC) values for each group/category and sample
| Group | RT | Name | IR | CAS | HX-Patriot_RC1 | HX-Patriot_RC2 | HX-Patriot_RC3 |
| alkane | 1.93 | 2-methyl-pentane | 579 | 107-83-5 | 4.11 | 3.08 | 4.64 |
| Group | HX-Patriot_RC1 | HX-Patriot_RC2 | HX-Patriot_RC3 | HX-HOLL_RC1 | HX-HOLL_RC2 | HX-HOLL_RC3 |
| total aldehyde | 12.5 | 13.2 | 12.8 | 15.3 | 14.9 | 15.1 |
| total alcohol | 8.3 | 8.7 | 8.5 | 9.2 | 9.0 | 9.1 |
Note: The system will automatically detect sample names from the RC column headers and perform ANOVA with Tukey HSD post-hoc tests for each group/category, assigning letter comparisons (a, b, c, etc.) to indicate significant differences. RT, Name, IR, and CAS columns are optional - you can perform statistical analysis on category totals (e.g., "total aldehyde", "total alcohol") without individual compound details.
Drop Excel file here or click to browse
Supports .xlsx and .xls files
2. Organize R Statistical Results
Instructions: Upload an Excel file containing R statistical analysis results. The file should have:
- Group column: Category/group names (e.g., "aldehyde", "alcohol", etc.) - Required
- Compound column: Compound names (optional - will be included if present)
- RT, IR, CAS columns: Retention Time, Retention Index, and CAS numbers (optional - will be included if present)
- Sample columns: For each sample, there should be Mean, SD, and Significance (letter) columns
- Column naming: Format should be "SampleName_Mean", "SampleName_SD", "SampleName_Sig" (or similar variations)
| Group | Compound | RT | IR | CAS | HX_Patriot_Mean | HX_Patriot_SD | HX_Patriot_Sig | HX_HOLL_Mean | HX_HOLL_SD | HX_HOLL_Sig |
| aldehyde | Pentanal | 3.15 | 705 | 110-62-3 | 2.533333 | 0.355715 | b | 0 | 0 | e |
Note: The system will automatically detect sample names and organize the data into a clean format with No., Group, Compound (if present), and Mean±SD/Significance columns for each sample.
Drop R Results Excel file here or click to browse
Supports .xlsx and .xls files
Results
Analysis Logic (R-style Statistics):
- ANOVA: Performs one-way ANOVA for each compound using R-style calculations (F-statistic, p-value from F-distribution).
- Tukey-Kramer HSD: Post-hoc test (α=0.05) using Tukey-Kramer method (handles unequal sample sizes), matching R's
TukeyHSD()function. - Letter Comparisons: Letter assignments (a, b, c, etc.) are calculated but displayed in the generated R script. Use the "Generate R Script" button to get complete statistical results including letter groupings.
- Statistical Library: Uses jStat library comprehensively for all statistical calculations including mean, standard deviation, variance, F-distribution, and t-tests, ensuring R-compatible results.
- ND handling: Any cell that would show
0 ± 0is replaced with ND (not detected).