Additional file 1: of Pancreatic ductal adenocarcinoma can be detected by analysis of volatile organic compounds (VOCs) in alveolar air

Environmental and alveolar concentrations of measured volatile organic compounds. The file contains all raw data about environmental (sheet 1) and alveolar (sheet 2) concentrations of measured products with the sample codes and the main parameters (sex, age and case-control classification) of enrolled subjects. Red printed VOCs were directly calibrated for the mass spectrometer analysis. (XLSX 417 kb

Variables and coefficients of the logistic regression model with outcome variables: Patients with inflammatory bowel disease vs. controls (surgical + gastroenterological).

<p>Variables and coefficients of the logistic regression model with outcome variables: Patients with inflammatory bowel disease vs. controls (surgical + gastroenterological).</p

For the 81 molecules considered, difference between median values of alveolar and environmental air, with values standardized to environmental air.

<p>For the 81 molecules considered, difference between median values of alveolar and environmental air, with values standardized to environmental air.</p

Performance of model comparing Crohn’s disease patients to ulcerative colitis patients (in parenthesis, the number of correctly classified cases).

<p>Performance of model comparing Crohn’s disease patients to ulcerative colitis patients (in parenthesis, the number of correctly classified cases).</p

Diagnoses of the gastroenterological controls according to their classification in the model IBD vs. controls.

<p>Diagnoses of the gastroenterological controls according to their classification in the model IBD vs. controls.</p

Performance of the model with calibrated VOCs comparing patients with inflammatory bowel disease vs. controls (surgical and gastroenterological), for sensitivity levels above 90% (in parenthesis, the correctly classified).

<p>Performance of the model with calibrated VOCs comparing patients with inflammatory bowel disease vs. controls (surgical and gastroenterological), for sensitivity levels above 90% (in parenthesis, the correctly classified).</p

For the 81 molecules considered, VOCs profiles of median values of CD and UC patients compared to control subjects, with values standardized to the median values of control subjects.

<p>For the 81 molecules considered, VOCs profiles of median values of CD and UC patients compared to control subjects, with values standardized to the median values of control subjects.</p

Description of the sample of inflammatory bowel disease cases and controls enrolled in the study (children 10 to 17 years of age).

<p>Description of the sample of inflammatory bowel disease cases and controls enrolled in the study (children 10 to 17 years of age).</p

Measured (the first 9 in the table) or hypothesized (the others)^* VOCs that emerged as significant in our models^**.

<p>Measured (the first 9 in the table) or hypothesized (the others)^{<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0184118#t014fn001" target="_blank">*</a>} VOCs that emerged as significant in our models^{<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0184118#t014fn002" target="_blank">**</a>}.</p

Performance of model comparing patients with inflammatory bowel disease vs. gastroenterological controls, for sensitivity levels above 90% (in parenthesis, the correctly classified).

<p>Performance of model comparing patients with inflammatory bowel disease vs. gastroenterological controls, for sensitivity levels above 90% (in parenthesis, the correctly classified).</p