XR and RAXR Data Pb-EDTA
Description
This is data associated with a submission of a manuscript after review to Environmental Science and Technology Water (ACS ES&T Water). The manuscript is titled Lead Adsorption and Desorption at the Barite (001) Surface in the Presence of EDTA. The data uploaded here includes X-ray reflectivity (XR) and resonant anomalous X-ray reflectivity (RAXR) data collected on barite (001) in the presence of Pb and EDTA in a barite saturated solution. One set of data was collected in deionized water (files include DIH2O in their name). Data was collected at 13-ID-C at the Advanced Photon Source on a Newport kappa six (4+2) circle diffractometer. In the files and folders, S1 indicates sample 1 and S2 indicates sample 2. The number by the word Pb indicates the Pb concentration (25, 75, 100, 225, 450 uM) and the number by the word EDTA indicates the EDTA concentration. Files whose name includes _30 min and 14p5 indicate a 30 minute or 14.5 hour reaction with 100 uM EDTA with no Pb present. Guide for RAXR files: The folder named RAXR Data contains the RAXR files in csv format. The folders are labelled with the sample number and the solution condition. The columns are labelled in each of the files. L (column 2) is related to Q: Q = L*2*pi/c, where c is the c lattice spacing of barite (7.1538). Key columns include L (column 2), Energy (column 4), Signal (column 6), and the error bar of the signal (column 7), background (column 8), and count time (column 9). Guide for XR files: The folder named XR Data contains CSV files for the XR data and fits for each of the solution conditions. The files are named the following way: sample number_solution condition_CTR_Type of File, where the type of file can either be Data or Fit. The files containing the data include the following columns: L, intensity, error bar for intensity, normalized intensity, error bar for normalized intensity. The files containing the fits include the following columns: L, intensity of fit, normalized intensity of fit. L is related to Q: Q = L*2*pi/c, where c is the c lattice spacing of barite (7.1538).