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Table 1 The summary of GC × GC/TOF-MS datasets.

From: Smith-Waterman peak alignment for comprehensive two-dimensional gas chromatography-mass spectrometry

(a) Compound standards

5°C/min

RUN ID

S1

S2

S3

S4

S5

S6

S7

S8

S9

S10

 

The number of compounds

78 (180)*

76 (186)

76 (161)

75 (151)

74 (151)

73 (145)

74 (172)

76 (163)

77 (168)

75 (174)

 
 

Compound standards

(continued)

     
 

7°C/min

10°C/min

(b) Spiked-in

RUN ID

S11

S12

S13

S14

S15

S16

C1

C2

C3

C4

C5

The number of compounds

75 (132)

73 (170)

76 (148)

73 (138)

76 (113)

75 (118)

466 (759)

456 (733)

436 (694)

452 (727)

418 (661)

  1. *, the number of peaks found by ChromaTOF before multiple peak correction
  2. (a) A total of 16 datasets were generated under the temperature gradients of 5°C/min, 7°C/min, and 10°C/min for the mixture of compound standards. (b) A total of 5 datasets were generated for spiked-in sample.