Fig. 4: Reproducibility of Collision Cross Section (CCS) values. | Communications Chemistry

Fig. 4: Reproducibility of Collision Cross Section (CCS) values.

From: Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry

Fig. 4

CCS reproducibility for the technical replicates examined in this study was assessed by A chemical class and B ionization mode (ESI[-], ESI[+], and APCI[+]). C CCS reproducibility between this study and other published large datasets that contained overlapping chemicals is shown in C. The pie charts in A and B show the fraction of the chemicals falling below a 1% threshold (white) and above 1% threshold (black), which were filtered out. The total number of chemicals is also noted below each pie chart. B abbreviations are TM = tune mix and C = chemicals. In C, the pie charts show the fractions below 2% (white), between 2 and 5% (gray), and above 5% (black). The box and whiskers plots in each panel show the distribution of the values for each detected chemical (boxes are interquartile range, the line is median, the whiskers are 5–96 percentile, and the points are outliers). Horizontal lines indicate thresholds used in each analysis.

Back to article page