DACHS/MOFs/AutoMOFs_5/Synthesis
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Description
DACHS:
The DACHS (Database for Automation, Characterization and Holistic Synthesis) project aims to create completely traceable experimental data, covering syntheses, measurements, analyses, and interpretations. DACHS_MOFs focuses on the synthesis and characterisation of metal-organic frameworks, across multiple, automation-assisted experimental series (AutoMOFs), with the overall goal of producing reproducible MOF samples through tracking of the synthesis parameters.
DACHS_MOFs is simultaneously used to test the DACHS principles.
This upload contain synthesis data from AutoMOFs_5 in HDF5 format (.h5). Each .h5 file contains detailed information on the chemical, experimenal, and synthesis parameters used during the synthesis of a single AutoMOF sample.
AutoMOFs_5
What: 57 samples (H001 - H011, L001 - L007, M001 - M017, T000 - T021)
Why: Consistency/repeatability, Injection speed, Injection order, Injection method, Time
When: 08/08/2022
Sample Naming
Sample denoted as "H" are synthesised by hand, pouring the linker solution (Solution1) into the metal solution (Solution0), (e.g. "Hand sample, metal first")
Sample denoted as "L" are synthesised by injecting the metal solution (Solution1) first (e.g. "linker first")
Sample denoted as "M" are synthesised by injecting the metal solution (Solution0) first (e.g. "metal first")
Samples denoted as "T" are synthesised by injecting the metal solution (Solution0) and linker solution (Solution1) simultaneously (e.g. "togeter")
How to view the files:
To open files, any HDF5 compatable viewer should work (e.g. DAWN, HDF view, H5Web etc).
File structure:
Detailed synthesis descriptions can be found for each sample within each file, and are stored in /DACHS/Synthesis/Description
Experimetal set-up are stored in /DACHS/Synthesis/Description
Chemicals, including starting compounds, mixtures, and (potential-, target- and final) products are given in the /DACHS/Chemicals
Parameters that might be of interest to the synthesis are stored in /DACHS/Synthesis/DerivedParameters
Additional notes on samples/oddities arrising from their synthesis are stored in /DACHS/Synthesis/DerivedParameters/Note
File storage:
To maintain compatability with scripts uploadedd to the DACHS community, data from this upload should be stored locally in the following file path:
DACHS/MOFs/AutoMOFs_5/Synthesis
Files
DACHS.zip
Files
(6.2 MB)
Name | Size | Download all |
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md5:d24c04ea50c6c417e4017586ff0447f8
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6.2 MB | Preview Download |
Additional details
Dates
- Available
-
2024