Method and system for analyst of crystals and crystallization

摘要

The disclosure relates to methods and systems for the analysis of compounds in a crystalline state and/or undergoing crystallization. Two-dimensional correlation (2DCOS) and co-distribution analysis (2DCDS) analysis plots can be generated and analyzed. Asynchronous plots can aid in establishing a sequential order of events. Positive cross peaks that correlate with auto peaks associated with aggregation can be identified. The auto peaks can be referenced to quickly discern the regions of the molecule most perturbed, which would indicate a driver for the crystallization state of the molecule. One can define which functional group types (e.g., region) are most perturbed (positive, intense auto peak) and observe how the different auto peaks begin to have greatest intensity change. These changes in auto peaks in the synchronous plots for the different stages of crystallization can provide information as to the dynamics of the process from amorphous to crystalline state.