refine1: twin, 25 individual sites ml, 25 individual adp, 10 cycles
r_work = 0.1840 r_free = 0.2188 bonds = 0.009 angles = 1.119

refine1-NT: no twin ==
r_work = 0.2327 r_free = 0.2873 bonds = 0.008 angles = 1.066

refine2: twin, sim ann 4k first, 25 individual sites ml, 25 individual adp, 10 cycles
r_work = 0.1846 r_free = 0.2207 bonds = 0.006 angles = 0.841

refine3: twin, ordered water, 25 individual sites ml, 25 individual adp, 10 cycles
r_work = 0.1555 r_free = 0.1907 bonds = 0.005 angles = 0.848

refine3-NT: no twin ==
r_work = 0.1985 r_free = 0.2558 bonds = 0.006 angles = 0.942

refine4: twin, tls(A+B), 25 individual sites ml, 25 individual adp, 5 cycles
r_work = 0.1698 r_free = 0.2066 bonds = 0.009 angles = 1.086

refine4-NT: no twin ==
r_work = 0.2209 r_free = 0.2787 bonds = 0.008 angles = 1.073

refine5: twin, tls(A+B), ordered water, 25 individual sites ml, 25 individual adp, 5 cycles 
r_work = 0.1428 r_free = 0.1770 bonds = 0.006 angles = 0.909

refine5-NT: no twin ==
r_work = 0.1922 r_free = 0.2435 bonds = 0.005 angles = 0.872



SUMMARY:
			No twin (Rw/Rf)			Twinned (Rw/Rf)

refine1			0.2327 / 0.2873			0.1840 / 0.2188
(-TLS-H2O)

refine2			--------------			0.1846 / 0.2207
(-TLS-H2O+1st SA 4k)

refine3			0.1985 / 0.2558			0.1555 / 0.1907	***	
(-TLS+H2O)

refine4			0.2209 / 0.2787			0.1698 / 0.2066
(+TLS-H2O)

refine5			0.1922 / 0.2435	 ***		0.1428 / 0.1770
(+TLS+H2O)