As part of the implementation of a rainwater harvesting system as an alternative water source supply for nonpotable use, therefore the characteristic of chemical compounds was significantly explored. The Department of Chemistry, Malaysia, gave the data set for three years (2017-2019). Some chemometric techniques, including PCA, were performed to identify the dimensionality of the rainwater data, hence establishing the rainfall index's purity to determine the quality of rainwater in the study area. Discriminant analysis managed to differentiate each rain gauge station. Cluster analysis was then applied to perform smaller group of rain gauge stations. The result demonstrates that sea salt, secondary aerosols, trace metals, crustal origin, and organic acid dominated the dimensionality of rainwater data with a total variance of 53.38% and indicated that the PRI was significantly diversified into good purity of rainfall index (GPRI), (Labuan and Danum Valley), moderate purity of rainfall index (MPRI), (Kuching and Tawau) and bad purity of rainfall index (BPRI), (Kota Kinabalu and Bintulu). From the study, it can be stipulated that the chemical composition of rainwater in the study area was attributable to the local activities.