Metabolomics Workbench : NIH Data Repository : Overview

Sample groups(5): Affected/Female; Affected/Male; Control/Female; Control/Male; QC-test

Perform data analysis on user-uploaded data

STEP 1: Load your data file (tab-delimited text file or csv file) Load example file Classify metabolite names via RefMet

File format required:
Column 1: sample names
Column 2: group identifier (letters, numbers or text)
Columns 3 to n: Variables
View input file

STEP 2: Choose a method below

Normalization and scaling

Sample normalization:

Analyte scaling:

Relative log abundance plot:

Bargraphs and Boxplots

Bargraph:

ANALYTE:

Bargraph ratio:

ANALYTE1:
ANALYTE2:

Boxplot:

ANALYTE:

Univariate Analysis

Volcano Plot:

Select one or more experimental factors for each of Groups 1 and 2.
The members of each group should be DIFFERENT.

Group1	Experimental factor	Group2
	Affected/Female(21)
	Affected/Male(20)
	Control/Female(17)
	Control/Male(13)
	QC-test(3)

P-value cutoff: Fold-change cutoff:

ANOVA analysis:

Select 2 or more experimental factors for ANOVA analysis.

Group	Experimental factor
	Affected/Female(21)
	Affected/Male(20)
	Control/Female(17)
	Control/Male(13)
	QC-test(3)

P-value cutoff:

Debiased sparse partial correlation analysis:

Select groups for DSPC analysis.

Group	Experimental factor
	Affected/Female(21)
	Affected/Male(20)
	Control/Female(17)
	Control/Male(13)
	QC-test(3)

Correlation coefficient cutoff: DSPC p-value cutoff:
Show negative correlations in red: Hide unconnected nodes:

Clustering and Correlation

T-test/Wilcoxon test:

ANALYTE:
Method:

Hierarchical Cluster Analysis:

Pearson Correlation:

ANALYTE1:
ANALYTE2:

Clustered correlation analysis:

Multivariate Analysis

Principal Component Analysis:

Linear Discriminant Analysis:

Classification and Feature Analysis

OPLS-DA/VIP analysis:

Select one or more experimental factors for each of Groups 1 and 2.
The members of each group should be DIFFERENT.

Group1	Experimental factor	Group2
	Affected/Female(21)
	Affected/Male(20)
	Control/Female(17)
	Control/Male(13)
	QC-test(3)

Random Forest/VIP analysis:

Select 2 or more experimental factors for Random Forest analysis.

Group	Experimental factor
	Affected/Female(21)
	Affected/Male(20)
	Control/Female(17)
	Control/Male(13)
	QC-test(3)

Number of analytes to display results:

Data matrix (input file)