Raw data for the paper is available as a zip file. The raw characterisation data for polymorphic identification for crystals is available as:
• Fourier-transform infrared spectroscopy (FT-IR): raw spectra data as text file (.txt) and experimental results summarized in a pdf file (.pdf).
• X-Ray Powder Diffraction (XRPD): raw spectra data as text file (.raw) and processed spectra data as text file (.xy).
and crystal morphology data is available as:
• Optical microscopic images: image files (.jpg).
• Pictures of the vials: image files (.jpg)
The data corresponds to the different setups and cooling temperatures presented in Figure 5 of the paper (see Figure 5.pdf). The figure has 8 parts, each with 6 concentrations. The directory structure is as follows:
• Figure 5X-Setup [1/2][a/b]
o YYYgGlycine-kgWater
Morphology
• Vial (AAA).jpg
• Optical microscopy-sample AAA-X.JPG
Polymorphic identification
• FTIR
o Sample AAA.txt
o Summary.pdf
• XRPD
o AAA.raw
o AAA.xy
for example:
Figure 5g-Setup 2a > 450gGlycine-kgWater > Polymorphic identification > FTIR > Sample 66G.txt
The data from quenched experiments presented in SI Figure 2 in the Supplementary Information (see SI Figure 2.pdf) is also available under:
SI Figure 2-Setup 1c > YYYgGlycine-kgWater > Polymorphic identification > FTIR > Sample AAA.txt