Re: [ccp4bb] Refmac 5.4.0066 versus Refmac 5.4.0034

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Subject: Re: Protein DNA complex refinement
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-03

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Subject: Re: Refmac 5.4.0066 versus Refmac 5.4.0034
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-03

Subject: Re: Refmac 5.4.0066 versus Refmac 5.4.0034
From: Ethan Merritt merritt {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2008-01-03

set term pdfcairo mono dash
set output 'Se_scatter.pdf'

set title "Net Se scattering (includes f' term for λ=1.0Å)"
set xlabel "sin(θ)/λ"
set ylabel "e" norotate
set encoding utf8

A0 = 8.8706 # wrong value
A1 = 17.0006 # correct value
B1 = 2.4098
A2 = 5.8196
B2 = 0.2726
A3 = 3.9731
B3 = 15.2372
A4 = 4.3543
B4 = 43.8163
C = 2.8409 - 3.2 # includes f' term at 1.0A wavelength

f(x) = A1*exp(-B1*x*x) + A2*exp(-B2*x*x) + A3*exp(-B3*x*x) + A4*exp(-B4*x*x) + C
g(x) = A0*exp(-B1*x*x) + A2*exp(-B2*x*x) + A3*exp(-B3*x*x) + A4*exp(-B4*x*x) + C

set xrange [0:1]

plot f(x) title "a1=17.0006" lt 1, g(x) title "a1=8.8706" lt 3

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CCP4bb <-- 2008 <-- January 2008 <-- 03 January 2008

Previous message:
Subject: Re: Protein DNA complex refinement
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-03

Next message:
Subject: Re: Refmac 5.4.0066 versus Refmac 5.4.0034
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-03