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Preprocessing / Denoising Method
Peak Detection
Peak Alignment
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Upload Peak Detection Data
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Choose Evaluation Parameters
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Evaluation / Prediction
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Prediction Results
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Dataset
Default Datasets
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Candy Train - Citrus vs Menthol, 16 vs 17 PEAX
Candy Train - Citrus vs Menthol, 16 vs 17 TOPHAT
Candy Train - Citrus vs Menthol, 16 vs 17 VISUALNOWLAYER
Mouthwash Train - 7 Mouthwashes, 6 samples each PEAX
Mouthwash Train - 7 Mouthwashes, 6 samples each TOPHAT
Mouthwash Train - 7 Mouthwashes, 6 samples each VISUALNOWLAYER
Your Datasets
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Peak Alignment Methods
Peak Alignment
*
PROBE_CLUSTERING
DB_SCAN_CLUSTERING
Select peak alignment method.
PROBE_CLUSTERING
PROBE_CLUSTERING Stepwidth X
Gridwidth for inverse reduced ion mobility.
PROBE_CLUSTERING Scaling Y
Gridwidth factor for retention time.
DBSCAN
DBSCAN eps
Distance from the core sample, above this considered outlier.
DBSCAN #Min Samples
Minimum number of samples required for a cluster.