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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:
  • 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
Example format 1 (with RT/Name/IR/CAS):
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
Example format 2 (Group only - for category totals):
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.

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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)
Example format:
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.

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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 ± 0 is replaced with ND (not detected).