lambda=1.541e-10 lambda theta=[14,30.5,42.5,12,20,16,22.5,34.5,46] theta=(14,30.5,42.5,12,20,16,22.5,34.5,46) theta=c(14,30.5,42.5,12,20,16,22.5,34.5,46) theta d = lambda / sin(theta) / 2 d dmin = lambda / sin(theta-0.5) / 2 dmax = lambda / sin(theta+0.5) / 2 derr = (dmax - dmin)/2 derr dmin dmax theta theta=theta/2 theta d = lambda / sin(theta) / 2 dmin = lambda / sin(theta-0.5) / 2 dmax = lambda / sin(theta+0.5) / 2 derr = (dmax - dmin)/2 derr d lambda theta sin(theta) pi theta=theta/180*pi theta sin(theta) d = lambda / sin(theta) / 2 dmin = lambda / sin(theta-0.5) / 2 dmax = lambda / sin(theta+0.5) / 2 derr d lambda lambda=1.541 lambda d = lambda / sin(theta) / 2 dmin = lambda / sin(theta-0.5) / 2 dmax = lambda / sin(theta+0.5) / 2 derr derr = dmax - dmin derr d derr = (dmax - dmin)/2 d derr dmax dmin dmax = lambda / sin(theta+0.5/180*pi) / 2 dmin = lambda / sin(theta-0.5/180*pi) / 2 derr = (dmax - dmin)/2 d derr derr = (dmin - dmax)/2 d derr density=2.0 packing=0.6 6.32 avgdist = 6.32 weight = 12.011 weight = 1.99e-23 avgdist = 6.32e-8 weight/(avgdist^3) weight/(1/3*avgdist^3) weight/(1/2*avgdist^3) packing*weight/(1/2*avgdist^3) avgdist packing*weight/((avgdist/2)^3) packing weight volume=avgdist^3 vol volume avgdist = c(6.32,3.93,2.13,7.37,4.44,5.54,3.95,2.60,1.97) avgdisterr = c(.45,.09,.05,.62,.22,.35,.17,.07,.04) avgdisterr avgdist density = mass/volume mass = weight weight volmin=(avgdist-avgdisterr)^3 volmin avgdist avgdist = avgdist*1e-8 avgdist volmin=(avgdist-avgdisterr)^3 avgdisterr = avgdisterr*1e-8 volmin=(avgdist-avgdisterr)^3 volmin volmax=(avgdist+avgdisterr)^3 volmax mass mass = 1.99442e-23 densitymin=mass/volmin densitymax=mass/volmax densityerr=(densitymax-densitymin)/2 density=densitymax-densityerr density densityerr densityerr=(densitymin-densitymax)/2 densitymax densitymin density=densitymin-densityerr density densityerr densitymin=mass/volmin/packing packing densitymax=mass/volmax/packing densityerr=(densitymin-densitymax)/2 density=densitymin-densityerr density densityerr knowndensity knowndensity=2.0 densitydev = density/knowndensity densitydevmin densitydevmin = densitymin/knowndensity densitydevmax = densitymax/knowndensity densitydeverr = (densitymin - densitymax)/ densitydeverr = (densitymin - densitymax)/2 densitydeverr density densityerr sqrt(3) 3.26/1.73 3.26*1.73 sqrt(4) 2.836*2 h=c(1,0,0,1,2,0,0,2) k=c(1,0,2,1,2,0,2,2) l=c(1,2,2,3,2,4,4,4) spacing=c(3.258,2.826,1.997,1.700,1.629,1.411,1.261,1.152) lattice=space*sqrt(h^2+k^2+l^2) lattice=spacing*sqrt(h^2+k^2+l^2) lattice 2theta 2theta = yp 2theta = 2 twothetameas=c(27.3689,31.6375,45.3846,53.8732,56.4297,66.1799,75.2911,83.9488) twothetacalc=c(27.367,31.7.4,45.449,53.87,56.474,66.229,75.294,83.994) twothetacalc=c(27.367,31.704,45.449,53.87,56.474,66.229,75.294,83.994) twothetadev=twothetameas/twothetacalc twothetadev twothetadev=1-twothetadev twothetadev spacing spacingrelerr=0.2/spacing spacingrelerr spacingrelerr*5.64 predspacing=c(3.26,2.82,1.99,1.70,1.63,1.41,1.29,1.26,1.15) spacingdev=spacing/predspacing predspacing=c(3.26,2.82,1.99,1.70,1.63,1.41,1.26,1.15) spacingdev=spacing/predspacing spacingdev spacingdev=1-spacingdev spacingdev measint=c(8.7,100,64.3,2.2,20.2,8.7,22.5,16.2) obsint=c(2.32,100,16.75,0.58,4.36,8.96,5.54,2.42) devint=obsint/measint devint=1-devint devint devint=obsint/measint devint measint obsint devint=1-devint devint .98*5.64 .98/5.64 .35/5.64 4.35-0.087 (4.35-0.087)/2 4.35 - (4.35-0.087)/2 measint obsint quit()