Fig. 1 | Scientific Reports

Fig. 1

From: Urine volatile organic compounds (VOCs) combined with machine learning algorithm in the diagnosis of gallstones with cholecystitis

Fig. 1

(A) VOC data extracted from the two-dimensional spectra, with each point representing a signal peak; (B) Three-dimensional dataset generated for each urine sample, including retention index, drift time, and peak intensity; (C) A total of 60 VOC peaks were selected from urine samples. Figure 1 illustrates the differences in VOCs between gallstones with cholecystitis and healthy control samples, with red indicating substances with higher concentrations in urine and blue indicating those with lower concentrations. Using VOCal software (v0.1.1) and the GC-IMS library, 60 VOC peaks were manually selected based on the retention index and drift time of all patients. These peaks included 49 identified compounds and 11 unidentified compounds.

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