Introduction:

This tool takes a peak table file and a samples-to-group design file as inputs and outputs the averaged intensity of every compound in every group.

Input files:

1.     Peak table file in Tab-delimited txt format, with the first column as the compound identifier and the others as samples.

For example:

AlignID

STDmix_GC_01

STDmix_GC_02

STDmix_GC_03

1

1486892478

561322777

3448620272

Nitrogen dioxide

5492977592

684434115

3265669981

Ethanol, 2-fluoro-

2265686433

4182838129

4365291513

3-Pentanone, 2,2,4,4-tetramethyl-

13390154

12612932

21155307

Hydrazine

14588107

8510918

7224351

 

2.     Sample-to-group design file, Tab-delimited text file with two columns, "sample " and "group ".

For example:

STDmix_GC_01

Group1

STDmix_GC_02

Group1

STDmix_GC_03

Group2

Output files:

'group_aver_pkTable.txt', average intensity results in each group.

For example:

AlignID

Group1

Group2

1

1024107628

3448620272

Nitrogen dioxide

3088705854

3265669981

Ethanol, 2-fluoro-

3224262281

4365291513

3-Pentanone, 2,2,4,4-tetramethyl-

13001543

21155307

Hydrazine

11549512.5

7224351