This readme file was generated on [2022-12-30] by Takashi Lawson

GENERAL INFORMATION

Title of Dataset: Dataset for 'In-situ Detection of Cobaloxime Intermediates During Photocatalysis Using Hollow-Core Photonic Crystal Fiber Microreactors'

Author/Principal Investigator Information
Name: Dr Tijmen Euser
ORCID: 0000-0002-8305-9598
Institution: University of Cambridge
Address: 
Email: te287@cam.ac.uk

Author/Associate or Co-investigator Information
Name: Prof Erwin Reisner
ORCID: 0000-0002-7781-1616
Institution: University of Cambridge
Address: 
Email: reisner@ch.cam.ac.uk

Author/Alternate Contact Information
Name: Takashi Lawson
ORCID: 0000-0002-2571-4216
Institution: University of Cambridge
Address: 
Email: tl457@cam.ac.uk

Date of data collection: 2021-07-14 to 2021-07-24

Geographic location of data collection: Cambridge, United Kingdom.

Information about funding sources that supported the collection of the data: 
Winton Programme for the Physics of Sustainability
Isaac Newton Trust
Cambridge NanoDTC (EPSRC Grant EP/L015978/1 and EP/S022953/1)
German National Academy of Sciences Leopoldina (LPDS 2018-04)
Harding Distinguished Postgraduate Scholars Programme
EPSRC PhD DTA studentship (EP/M508007/1)
Max-Planck-Gesellschaft
Leverhulme Trust (Research Project Grant RPG-2018-256)


SHARING/ACCESS INFORMATION

Licenses/restrictions placed on the data: CC BY

Links to publications that cite or use the data: https://doi.org/10.1002/anie.202214788

Links to other publicly accessible locations of the data: N/A

Links/relationships to ancillary data sets: N/A

Was data derived from another source? N/A
If yes, list source(s): 

Recommended citation for this dataset: Lawson et al. 'Dataset for In-situ Detection of Cobaloxime Intermediates During Photocatalysis Using Hollow-Core Photonic Crystal Fiber Microreactors' University of Cambridge (2022).


DATA & FILE OVERVIEW

File List:
2021-07-14.h5 (datafile)
2021-07-23.h5 (datafile)
2021-07-24.h5 (datafile)
plotting_params.txt (Plotting parameters for Jupyter Notebook)
ACIE-Cobaloxime-Code.ipynb (Jupyter Notebook for data analysis)

Relationship between files, if important: 
ACIE-Cobaloxime-Code.ipynb requires the three .h5 files and the plotting_params.txt to work.

Additional related data collected that was not included in the current data package: N/A

Are there multiple versions of the dataset? No
If yes, name of file(s) that was updated: 
Why was the file updated? 
When was the file updated? 


METHODOLOGICAL INFORMATION

Description of methods used for collection/generation of data: 
https://doi.org/10.1021/acs.analchem.0c03546

Methods for processing the data:
Data was background-corrected (stored in .h5 file) and the absorbance calculated taking -log10 of the division of the background-corrected spectrometer counts with the background-corrected reference (the spectrum at time t=0 s).
Each spectrum is timestamped and the Jupyter Notebook will convert timestamps to a time interval by subtracting the timestamp of the first spectrum from all other spectra.

Instrument- or software-specific information needed to interpret the data:
Run in terminal 'pip install -i https://test.pypi.org/simple/ optofluidics==0.0.10' to install the Optofluidics package.

Standards and calibration information, if appropriate: N/A

Environmental/experimental conditions: N/A

Describe any quality-assurance procedures performed on the data: N/A

People involved with sample collection, processing, analysis and/or submission: Takashi Lawson


DATA-SPECIFIC INFORMATION FOR: 2021-07-14.h5

List of datasets:

Key 0: Rubpy-Ascorbate-CoP-pH8-1 

Key 1: Rubpy-Ascorbate-CoP-pH8-2 

Key 2: Rubpy-Ascorbate-CoP-pH8-3 

Key 3: Rubpy-TEOA-CoP-pH10-1 

Key 4: Rubpy-TEOA-CoP-pH10-2 

Key 5: Rubpy-TEOA-CoP-pH10-3 

Key 6: Rubpy-TEOA-CoP-pH10-4 

Number of variables: 1044 wavelengths

Number of cases/rows: Dependent on dataset

Variable List: Wavelength (nm) / Timestamp

Missing data codes: N/A


DATA-SPECIFIC INFORMATION FOR: 2021-07-23.h5

List of datasets:

Key 0: Rubpy-Ascorbate-Co(dmgH)(dmgH2)Cl2-pH8-1 

Key 1: Rubpy-Ascorbate-Co(dmgH)(dmgH2)Cl2-pH8-2 

Key 2: Rubpy-Ascorbate-CoP-pH8-1 

Key 3: Rubpy-Ascorbate-CoP-pH8-2 

Number of variables: 1044 wavelengths

Number of cases/rows: Dependent on dataset

Variable List: Wavelength (nm) / Timestamp

Missing data codes: N/A


DATA-SPECIFIC INFORMATION FOR: 2021-07-24.h5

List of datasets:

Key 0: Rubpy-Ascorbate-Co(dmgH)(dmgH2)-py-pH8-1 

Key 1: Rubpy-Ascorbate-Co(dmgH)(dmgH2)-py-pH8-2 

Number of variables: 1044 wavelengths

Number of cases/rows: Dependent on dataset

Variable List: Wavelength (nm) / Timestamp

Missing data codes: N/A