Data to: Full-Scale Manipulation of the Empty Bed Contact Time to Optimize Dissolved Organic Matter Removal by Drinking Water Biofilters

dataset

posted on 2021-03-25, 14:30 authored by Urban WünschUrban Wünsch, Kathleen Murphy, Nashita Moona

PREFACE:

These data are discussed in the publication entitled "Full-Scale Manipulation of the Empty Bed Contact Time to Optimize Dissolved Organic Matter Removal by Drinking Water Biofilters".

a_rawdata.zip: Raw fluorescence data

Processing until here

1. Fluorescence data were measured on an Horiba AquaLog

- Fluorescence was measured as signal/reference beam

- Dark measurements were subtracted

- Internal excitation- and emission-correction factors were applied

- Blanks (ultrapure water) with identical instrument settings were subtracted

2. Inner filter effects were corrected with the absorbance-based method.

- Absorbance was measured on the same instrument

3. Fluorescence was normalized to the area under the Raman peak at 351 nm

4. Rayleigh and Raman scatter was removed and replaced with missing numbers ("NaN")

5. Data 25nm below the calculated 1st order Rayleigh peak was zero'ed.

6. Negative fluorescence data was zero'ed.

7. After the excision of scatter, excitation and emission wavelengths were increased by 3nm.

8. Some wavelengths were removed from the data.

9. Some data was replaced with "NaN" due to abnormal character (outliers)

About the data

1. Each csv file contains the wavelength information in nm as column and row headers (columns=excitation, row=emission) and the fluorescence observations processed as described above.

2. Each file is named with its sample identifier ("filename" in metadata_rawdata.csv).

3. The file "metadata_rawdata.csv" contains additional information for the description of the samples detailed in the main text.

4. The zip-file contains a *.mat (MATLAB) file that holds data equivalent to the csv-files in a format that is compatible to the drEEM toolbox (dreem.openfluor.org)

b_PARAFACmodels.zip: Fluorescence PARAFAC models

Model fitting

1. Start: Processed fluorescence data.

2. Models were obtained with the following options

- Starts: 50

- Convergence: 1e-8

- Constraints: nonnegativity in all modes

- Initialization: random orthogonolized numbers

About the data

1. The *.ods (OpenDocument Spreadsheet) file contains three spreadsheets with scores and loadings of each PARAFAC model.

2. For information on filenames, please refer to the file "metadata_modelscores.csv"

3. The zip-file contains a *.mat (MATLAB) file that holds data equivalent to the *.ods-files in a format that is compatible to the drEEM toolbox (dreem.openfluor.org)

c_additonal_metadata.ods: Additional data describing the samples

The spreadsheet file contains:

Experimental design indicating EBCT for each filter
raw and processed DOC (raw measurements after outlier removal, mean values by treatment and percent removal by treatment)
raw and processed UV data (raw spectra after outlier removal, spectral indices, and percent removal of UV254)
raw and processed fluorescence intensities for each of five PARAFAC components (raw Fmax by sample, averaged Fmax by treatment, and percent removal of Fmax by treatment)
FDOM intensities per sample obtained by peak picking
FDOM fluorescence indices (by sample and averaged by treatment).