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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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DataCite Commons2020-09-01 更新2024-07-25 收录
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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.<br>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.<br>250mgmgl_r1_images directory contains the complete of images for run number 1 at NaCl concentration 250 mg/ml <br>Images for remaining runs are not here due to size limitations<br>

本数据集的每项实验均为一组96孔板(96-well plate)的成像序列。每孔中加入0.1毫升过饱和甘氨酸水溶液(含可变含量的氯化钠(NaCl))。实验周期为2天至1周,孔内会有晶体生成并生长。以某孔中首次观测到晶体的时刻作为该孔内晶体的成核时间(nucleation time)。 名为2nd_paper .....xlsx的电子表格记录了各次实验中所有成核晶体的成核时间与晶型(polymorph,通过拉曼(Raman)光谱确定)。每种盐浓度对应2至3次实验。 Raman_spectra 目录存储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用于晶型鉴定。 Needles+non-needles 目录包含针对两种不同形貌(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差异,却属于同一晶型。 250mgmgl_r1_images 目录存储了氯化钠浓度为250 mg/ml时第1次实验的全部成像数据。其余实验的成像数据因体积限制未包含在此处。
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figshare
创建时间:
2017-09-27
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