Please cite as:
Sauer, Jonathan S.; Simkovsky, Ryan; Moore, Alexia N.; Camarda, Luis; Sherman, Summer L.; Prather, Kimberly A.; Pomeroy, Robert (2021). Gas composition and fluorescence data for: Continuous Measurements of Volatile Gases as Detection of Algae Crop Health. UC San Diego Library Digital Collections. https://doi.org/10.6075/J0GH9GHW

Corresponding author:
Jonathan Sauer – j.sauer.0809@gmail.com

Primary associated publication:
Jon S. Sauer, Ryan Simkovsky, Alexia  N. Moore, Luis Camarda, Summer L. Sherman, Kimberly A. Prather, Robert Pomeroy (2021). Continuous Measurements of Volatile Gases as Detection of Algae Crop Health. Proceedings of the National Academy of Science of the United States of America. Accepted for publication.

Description of contents:
13 Data files which include:
9 Files of chemical ionization mass spectrometer data for each Carboy (1,2,3) over the experiment duration as described in the paper text. 3 of the files include 15 minute binned unit mass spectra intensity data between m/z’s 15-214. 3 Files of standard deviations for 15-minute binned mass spectra data acquired for each carboy. The three remaining data files include the mass spectral total ion current, binned in the same 15 minute time period as well as time stamps used for plotting each carboy’s mass spectra dataset.
3 Data files of continuous and daily fluorescence data used to track algal biomass and grazer counts over the experiment duration.
1 Data file indicating times when Tetrahymena grazer was added to each carboy experiment. 

Methods:

For chemical ionization mass spectrometry: Approximately 60,000 mass spectra were averaged per second on an analog-to-digital converter and transferred to computer storage for later analysis. For the analyses in this work, the mass spectral window was limited between 10-400 m/z as there was a dearth of ions observed above this mass range. Mass resolution was ~1200 full width at half maximum for the spectra obtained in this experiment. MS data was baselined, calibrated, and analyzed in Tofware, a GUI plugin for Igor Pro 7. Time series data of unit-mass m/z’s were averaged into ~15-minute bins to reduce data density and were separated by the carboy sampled using a complementary mask file generated by the solenoid valve array. ~5 minutes of MS data acquired at the beginning of each time bin was discarded to remove signal that was equilibrating between samples.

For continuous fluorescence: An orthogonally oriented photodiode detector (Thorlabs) with a 650 nm high pass filter measured fluorescence which was logged at a rate of 1 Hz by a Labview interface. Continuous fluorescence data was background subtracted, normalized, and averaged into 10-minute intervals after experiment completion.

For daily fluorescence: Manually collected cyanobacterial culture samples were analyzed by optical density at 750 nm in a clear, plastic cuvette, or by absorbance and fluorescence spectroscopy of a 200 µl sample in a 96-well plate using a TECAN Infinite M200 plate reader to collect OD750 values and autofluorescence values at an excitation of 590 nm and emission of 670 nm.

Data dictionary:
For mass spectral data files, unit mass spectra are referred as “m18, m19, …” to indicate binned m/z 18, m/z 19. 

License:
Creative Commons Attribution 4.0 International Public License