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Data for experimental studies of the crystallisation of the alpha and gamma polymorphs of glcyine - from PhD thesis work of Dr Laurie Little at the University of Surrey

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https://figshare.com/articles/dataset/2017_Laurie_polymorph_paper_plate_images/5447122
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Each experiment is a sequence of images of a 96-well plate. Each well has 0.1 ml of supersaturated solution of glycine (aqueous, with variable amount of NaCl). Experiment duration is 2 days to a week. Crystals are observed to appear and grow in the wells. First observation of a crystal in a well is taken as the nucleation time for the crystal in that well. 2nd_paper .....xlsx spreadsheet contains nucleation times + polymorph (determined by Raman) of each crystal that nucleates in each run. 2 or 3 runs per salt concentration.Raman_spectra directory contains Raman spectra of crystalsXRD+Raman_conf directory has XRD patterns and Raman spectra for XRD confirmation that Raman can identify polymorphsNeedles+non-needles directory contains data analysis for crystals of two different (needled and non-needle) habits, to show that despite their different habits they are the same polymorph. Needle_like_crystals2.xlsx spreadsheet contains fractions of crystals that have nucleated by that time and are needles, as a function of time. In other words number of needle-like crystals divided total number of crystals. Fig. 7 of Little et al (J Chem Phys., 2017) plots this data for alpha polymorph. 250mgmgl_r1_images directory contains the complete of images for run number 1 at NaCl concentration 250 mg/ml Images for remaining runs are not here due to size limitations

本数据集的每个实验均为一组96孔板(96-well plate)的图像序列。每个孔内盛放0.1 mL过饱和甘氨酸水溶液(溶剂为水,氯化钠(NaCl)含量可变)。实验周期为2天至1周,可观测到晶体在孔中形成并生长。某孔中首次观测到晶体的时刻,即定义为该孔内晶体的成核时间。 2nd_paper .....xlsx 电子表格存储了每次实验中各成核晶体的成核时间与通过拉曼光谱(Raman)鉴定得到的晶型信息。每种盐浓度对应2至3次重复实验。 Raman_spectra 目录收录了晶体的拉曼光谱数据;XRD+Raman_conf 目录包含X射线衍射(XRD)图谱与拉曼光谱,用于验证拉曼光谱可实现晶型鉴定。 Needles+non-needles 目录收录了两种不同形貌(针状与非针状)晶体的数据分析结果,用以证明尽管二者形貌存在显著差异,但其所属晶型完全一致。 Needle_like_crystals2.xlsx 电子表格记录了随时间变化的、特定时刻已成核的针状晶体占总晶体的比例,即针状晶体数量与总晶体数量的比值。Little等人于2017年发表在《The Journal of Chemical Physics》的论文中图7即为α晶型的该类数据绘图。 250mgmgl_r1_images 目录收录了氯化钠浓度为250 mg/ml时第1次重复实验的全部图像。其余重复实验的图像因文件体积限制未包含在本数据集中。
创建时间:
2017-10-09
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