Pawel's notes

  • exp. curve - scattering11
  • exp. curve smoothed by Dmitri - scatteri8

    In this, spider formatted, curves:
    first column=numbering
    second column=frequency in 1/A
    third column=intensity multiplied by 60
    fourth column=?
    fifth column=frequency in units of 2.93A

    Amplitude correction steps:
    1. Calculate 1D pw
    2. create scattering curve in the same format search for close frequences -- intensity can be normalized/ multiplied or divided to get it closer to pw values
    b70.fin
    pwsc.fin
    spider fin/aaa i70
    junk.aaa = TRF/flenhc71.aaa
cut from

gnuplot> K(x)=A*x*x+B

fit K(x) 'junk.aaa' using 1:3 via A,B

plot 'TRF/flenhc71.aaa' using 1:3 with lines, K(x)
A               = 623.42           +/- 20.02        (3.212%)
B               = 13769.2          +/- 1.153e+04    (83.72%)


i01.bbb or a01.aaa

gnuplot> K(x)=C*x*x*x+A*x*x+B                              
gnuplot> fit K(x) 'junk.aaa' using 1:3 via A,B,C