. 2018 Feb 5;8:2396. doi: 10.1038/s41598-018-20890-4

Table 1.

Details of the main peaks composing the resolved spectra obtained for each pure component using MCR-ALS and corresponding assignments^{17,19,36–39,58–60}.

Identification	MCR-ALS components						Band Assignment	References
	1	2	3	4	7	8
	Olivine	White serpentine in vein	Yellow serpentine	Saponite	Organic compounds	White serpentine
% variance	11.3	4.5	14.7	8.3	16.4	15.0
Peak positions (cm−¹)					1466		C-H bending; N-H bending	^17,58,59
			1473				X-OH bending (X = Si, Mg, Fe)	^36–38
					1539		N-H bending; C = C stretching	^17,58,59
			1541			1543	X-OH bending (X = Si, Mg, Fe)	^36–38
			1576				X-OH bending (X = Si, Mg, Fe)	^36–38
						1597	X-OH bending (X = Si, Mg, Fe)	^36–38
				1628			interlayer H-O-H	^19,38,39
		1641					X-OH bending (X = Si, Mg, Fe)	^36–38
		1672				1670	X-OH bending (X = Si, Mg, Fe)	^36–38
		1711					X-OH bending (X = Si, Mg, Fe)	^36–38
					1730		aromatic C = O stretching	^17,58,59
			1747				X-OH bending (X = Si, Mg, Fe)	^36–38
	1776						Si-O secondary order overtone	⁶⁰
					2852		C-H stretching	^17,58,59
					2924		C-H stretching	^17,58,59
					2958		C-H stretching	^17,58,59