IGOR
WAVES/O twoth, yobs, ycal, delta
BEGIN
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  1.05400E+2  1.05000E+2  1.07483E+2 -2.37901E+3
  1.05450E+2  8.40000E+1  1.07356E+2 -2.39988E+3
  1.05500E+2  1.13000E+2  1.07260E+2 -2.37078E+3
  1.05550E+2  1.16000E+2  1.07308E+2 -2.36783E+3
  1.05600E+2  1.03000E+2  1.07563E+2 -2.38109E+3
  1.05650E+2  9.90000E+1  1.08241E+2 -2.38576E+3
  1.05700E+2  1.09000E+2  1.08999E+2 -2.37652E+3
  1.05750E+2  9.60000E+1  1.09988E+2 -2.39051E+3
  1.05800E+2  1.14000E+2  1.11152E+2 -2.37367E+3
  1.05850E+2  9.90000E+1  1.12368E+2 -2.38989E+3
  1.05900E+2  1.27000E+2  1.13295E+2 -2.36282E+3
  1.05950E+2  1.18000E+2  1.13472E+2 -2.37199E+3
  1.06000E+2  9.10000E+1  1.12906E+2 -2.39843E+3
  1.06050E+2  1.10000E+2  1.12176E+2 -2.37870E+3
  1.06100E+2  9.50000E+1  1.11551E+2 -2.39307E+3
  1.06150E+2  1.16000E+2  1.11266E+2 -2.37179E+3
  1.06200E+2  1.05000E+2  1.11297E+2 -2.38282E+3
  1.06250E+2  1.08000E+2  1.11505E+2 -2.38003E+3
  1.06300E+2  1.27000E+2  1.11617E+2 -2.36114E+3
  1.06350E+2  9.60000E+1  1.11422E+2 -2.39194E+3
  1.06400E+2  1.01000E+2  1.11013E+2 -2.38653E+3
  1.06450E+2  1.08000E+2  1.10624E+2 -2.37915E+3
  1.06500E+2  1.08000E+2  1.10409E+2 -2.37893E+3
  1.06550E+2  9.60000E+1  1.10415E+2 -2.39094E+3
  1.06600E+2  1.22000E+2  1.10642E+2 -2.36516E+3
  1.06650E+2  1.20000E+2  1.11085E+2 -2.36761E+3
  1.06700E+2  1.14000E+2  1.11746E+2 -2.37427E+3
  1.06750E+2  1.20000E+2  1.12646E+2 -2.36917E+3
  1.06800E+2  1.04000E+2  1.13832E+2 -2.38635E+3
  1.06850E+2  1.12000E+2  1.15388E+2 -2.37991E+3
  1.06900E+2  1.16000E+2  1.17460E+2 -2.37798E+3
  1.06950E+2  1.01000E+2  1.20292E+2 -2.39581E+3
  1.07000E+2  1.14000E+2  1.24271E+2 -2.38679E+3
  1.07050E+2  1.34000E+2  1.29977E+2 -2.37250E+3
  1.07100E+2  1.37000E+2  1.38181E+2 -2.37770E+3
  1.07150E+2  1.47000E+2  1.49770E+2 -2.37929E+3
  1.07200E+2  1.71000E+2  1.65504E+2 -2.37103E+3
  1.07250E+2  1.81000E+2  1.85375E+2 -2.38090E+3
  1.07300E+2  1.93000E+2  2.07110E+2 -2.39063E+3
  1.07350E+2  2.48000E+2  2.24194E+2 -2.35272E+3
  1.07400E+2  2.12000E+2  2.28229E+2 -2.39275E+3
  1.07450E+2  2.16000E+2  2.18145E+2 -2.37867E+3
  1.07500E+2  2.08000E+2  2.02050E+2 -2.37057E+3
  1.07550E+2  1.94000E+2  1.88037E+2 -2.37056E+3
  1.07600E+2  1.87000E+2  1.79709E+2 -2.36923E+3
  1.07650E+2  1.93000E+2  1.77308E+2 -2.36083E+3
  1.07700E+2  1.91000E+2  1.78655E+2 -2.36418E+3
  1.07750E+2  2.01000E+2  1.79187E+2 -2.35471E+3
  1.07800E+2  1.77000E+2  1.74280E+2 -2.37380E+3
  1.07850E+2  1.59000E+2  1.63804E+2 -2.38133E+3
  1.07900E+2  1.32000E+2  1.51481E+2 -2.39600E+3
  1.07950E+2  1.27000E+2  1.40378E+2 -2.38990E+3
  1.08000E+2  1.43000E+2  1.31571E+2 -2.36509E+3
  1.08050E+2  1.29000E+2  1.25029E+2 -2.37255E+3
  1.08100E+2  1.24000E+2  1.20355E+2 -2.37288E+3
  1.08150E+2  1.37000E+2  1.17080E+2 -2.35660E+3
  1.08200E+2  1.16000E+2  1.14831E+2 -2.37535E+3
  1.08250E+2  1.27000E+2  1.13308E+2 -2.36283E+3
  1.08300E+2  1.01000E+2  1.12323E+2 -2.38785E+3
  1.08350E+2  1.14000E+2  1.11775E+2 -2.37430E+3
  1.08400E+2  1.28000E+2  1.11628E+2 -2.36015E+3
  1.08450E+2  1.32000E+2  1.11906E+2 -2.35643E+3
  1.08500E+2  9.00000E+1  1.12701E+2 -2.39922E+3
  1.08550E+2  1.20000E+2  1.14183E+2 -2.37070E+3
  1.08600E+2  1.16000E+2  1.16642E+2 -2.37716E+3
  1.08650E+2  1.05000E+2  1.20471E+2 -2.39199E+3
  1.08700E+2  1.37000E+2  1.26151E+2 -2.36567E+3
  1.08750E+2  1.40000E+2  1.34147E+2 -2.37067E+3
  1.08800E+2  1.49000E+2  1.44665E+2 -2.37219E+3
  1.08850E+2  1.46000E+2  1.57015E+2 -2.38754E+3
  1.08900E+2  1.72000E+2  1.68504E+2 -2.37303E+3
  1.08950E+2  1.76000E+2  1.74327E+2 -2.37485E+3
  1.09000E+2  1.93000E+2  1.71498E+2 -2.35502E+3
  1.09050E+2  1.55000E+2  1.62763E+2 -2.38428E+3
  1.09100E+2  1.77000E+2  1.53360E+2 -2.35288E+3
  1.09150E+2  1.49000E+2  1.46588E+2 -2.37411E+3
  1.09200E+2  1.49000E+2  1.43460E+2 -2.37098E+3
  1.09250E+2  1.55000E+2  1.43387E+2 -2.36491E+3
  1.09300E+2  1.56000E+2  1.44377E+2 -2.36490E+3
  1.09350E+2  1.43000E+2  1.43394E+2 -2.37692E+3
  1.09400E+2  1.55000E+2  1.38551E+2 -2.36007E+3
  1.09450E+2  1.50000E+2  1.30959E+2 -2.35748E+3
  1.09500E+2  1.29000E+2  1.23009E+2 -2.37053E+3
  1.09550E+2  1.29000E+2  1.16149E+2 -2.36367E+3
  1.09600E+2  1.18000E+2  1.10780E+2 -2.36930E+3
  1.09650E+2  9.90000E+1  1.06729E+2 -2.38425E+3
  1.09700E+2  1.03000E+2  1.03633E+2 -2.37716E+3
  1.09750E+2  1.18000E+2  1.01128E+2 -2.35965E+3
  1.09800E+2  1.17000E+2  9.90026E+1 -2.35852E+3
  1.09850E+2  8.80000E+1  9.71872E+1 -2.38571E+3
  1.09900E+2  1.17000E+2  9.56398E+1 -2.35516E+3
  1.09950E+2  9.30000E+1  9.43121E+1 -2.37783E+3
END
WAVES/O xphase_1, yphase_1, d_1
BEGIN
  2.53083E+1 -2.13887E+2  3.51622E+0
  2.53722E+1 -2.13887E+2  3.51622E+0
  3.69376E+1 -2.13887E+2  2.43153E+0
  3.70327E+1 -2.13887E+2  2.43153E+0
  3.77640E+1 -2.13887E+2  2.38020E+0
  3.78614E+1 -2.13887E+2  2.38020E+0
  3.85689E+1 -2.13887E+2  2.33236E+0
  3.86685E+1 -2.13887E+2  2.33236E+0
  4.80526E+1 -2.13887E+2  1.89186E+0
  4.81796E+1 -2.13887E+2  1.89186E+0
  5.19694E+1 -2.13887E+2  1.75811E+0
  5.21082E+1 -2.13887E+2  1.75811E+0
  5.38550E+1 -2.13887E+2  1.70091E+0
  5.39997E+1 -2.13887E+2  1.70091E+0
  5.50774E+1 -2.13887E+2  1.66602E+0
  5.52260E+1 -2.13887E+2  1.66602E+0
  6.21124E+1 -2.13887E+2  1.49314E+0
  6.22839E+1 -2.13887E+2  1.49314E+0
  6.26782E+1 -2.13887E+2  1.48102E+0
  6.28517E+1 -2.13887E+2  1.48102E+0
  6.87193E+1 -2.13887E+2  1.36481E+0
  6.89140E+1 -2.13887E+2  1.36481E+0
  7.03121E+1 -2.13887E+2  1.33775E+0
  7.05128E+1 -2.13887E+2  1.33775E+0
  7.39999E+1 -2.13887E+2  1.27993E+0
  7.42146E+1 -2.13887E+2  1.27993E+0
  7.50321E+1 -2.13887E+2  1.26486E+0
  7.52509E+1 -2.13887E+2  1.26486E+0
  7.60594E+1 -2.13887E+2  1.25032E+0
  7.62822E+1 -2.13887E+2  1.25032E+0
  7.86289E+1 -2.13887E+2  1.21577E+0
  7.88623E+1 -2.13887E+2  1.21577E+0
  8.06678E+1 -2.13887E+2  1.19010E+0
  8.09098E+1 -2.13887E+2  1.19010E+0
  8.21728E+1 -2.13887E+2  1.17207E+0
  8.24213E+1 -2.13887E+2  1.17207E+0
  8.26786E+1 -2.13887E+2  1.16618E+0
  8.29293E+1 -2.13887E+2  1.16618E+0
  8.31797E+1 -2.13887E+2  1.16042E+0
  8.34327E+1 -2.13887E+2  1.16042E+0
  9.21973E+1 -2.13887E+2  1.06904E+0
  9.24935E+1 -2.13887E+2  1.06904E+0
  9.32052E+1 -2.13887E+2  1.06011E+0
  9.35068E+1 -2.13887E+2  1.06011E+0
  9.42021E+1 -2.13887E+2  1.05150E+0
  9.45089E+1 -2.13887E+2  1.05150E+0
  9.52002E+1 -2.13887E+2  1.04310E+0
  9.55125E+1 -2.13887E+2  1.04310E+0
  9.82378E+1 -2.13887E+2  1.01880E+0
  9.85672E+1 -2.13887E+2  1.01880E+0
  9.97526E+1 -2.13887E+2  1.00736E+0
  1.00091E+2 -2.13887E+2  1.00736E+0
  1.01266E+2 -2.13887E+2  9.96354E-1
  1.01614E+2 -2.13887E+2  9.96354E-1
  1.07468E+2 -2.13887E+2  9.55355E-1
  1.07857E+2 -2.13887E+2  9.55355E-1
  1.09039E+2 -2.13887E+2  9.45929E-1
  1.09439E+2 -2.13887E+2  9.45929E-1
END
WAVES/B/O h_1, k_1, l_1
BEGIN
  1   0   1
  1   0   1
  1   1   0
  1   1   0
  1   0   1
  1   0   1
  1   0   3
  1   0   3
  0   0   4
  0   0   4
  1   1   2
  1   1   2
  2   0   0
  2   0   0
  1   1   1
  1   1   1
  2   1   0
  2   1   0
  2   0   0
  2   0   0
  2   0   2
  2   0   2
  1   0   5
  1   0   5
  2   1   1
  2   1   1
  2   1   1
  2   1   1
  2   2   0
  2   2   0
  2   1   3
  2   1   3
  2   0   4
  0   0   2
  2   0   4
  0   0   2
  3   1   0
  3   1   0
  2   2   1
  2   2   1
  1   1   6
  1   1   6
  3   0   1
  3   0   1
  1   1   2
  1   1   2
  2   2   0
  2   2   0
  3   1   1
  3   1   1
  1   0   7
  1   0   7
  3   2   0
  3   2   0
  2   1   5
  2   1   5
  3   0   1
  3   0   1
END
WAVES/O xphase_2, yphase_2, d_2
BEGIN
  2.74343E+1 -6.29079E+2  3.24836E+0
  2.75038E+1 -6.29079E+2  3.24836E+0
  3.60744E+1 -6.29079E+2  2.48771E+0
  3.61671E+1 -6.29079E+2  2.48771E+0
  3.91878E+1 -6.29079E+2  2.29694E+0
  3.92892E+1 -6.29079E+2  2.29694E+0
  4.12341E+1 -6.29079E+2  2.18755E+0
  4.13412E+1 -6.29079E+2  2.18755E+0
  4.40405E+1 -6.29079E+2  2.05444E+0
  4.41557E+1 -6.29079E+2  2.05444E+0
  5.43147E+1 -6.29079E+2  1.68760E+0
  5.44608E+1 -6.29079E+2  1.68760E+0
  5.66221E+1 -6.29079E+2  1.62418E+0
  5.67756E+1 -6.29079E+2  1.62418E+0
  6.27461E+1 -6.29079E+2  1.47958E+0
  6.29198E+1 -6.29079E+2  1.47958E+0
  6.40429E+1 -6.29079E+2  1.45271E+0
  6.42211E+1 -6.29079E+2  1.45271E+0
  6.55032E+1 -6.29079E+2  1.42381E+0
  6.56865E+1 -6.29079E+2  1.42381E+0
  6.89973E+1 -6.29079E+2  1.35999E+0
  6.91931E+1 -6.29079E+2  1.35999E+0
  6.97893E+1 -6.29079E+2  1.34648E+0
  6.99880E+1 -6.29079E+2  1.34648E+0
  7.24113E+1 -6.29079E+2  1.30405E+0
  7.26199E+1 -6.29079E+2  1.30405E+0
  7.43948E+1 -6.29079E+2  1.27411E+0
  7.46110E+1 -6.29079E+2  1.27411E+0
  7.65255E+1 -6.29079E+2  1.24386E+0
  7.67502E+1 -6.29079E+2  1.24386E+0
  7.98176E+1 -6.29079E+2  1.20062E+0
  8.00559E+1 -6.29079E+2  1.20062E+0
  8.23286E+1 -6.29079E+2  1.17025E+0
  8.25778E+1 -6.29079E+2  1.17025E+0
  8.42426E+1 -6.29079E+2  1.14847E+0
  8.45003E+1 -6.29079E+2  1.14847E+0
  8.74732E+1 -6.29079E+2  1.11418E+0
  8.77460E+1 -6.29079E+2  1.11418E+0
  8.95363E+1 -6.29079E+2  1.09378E+0
  8.98191E+1 -6.29079E+2  1.09378E+0
  9.06958E+1 -6.29079E+2  1.08279E+0
  9.09844E+1 -6.29079E+2  1.08279E+0
  9.52459E+1 -6.29079E+2  1.04272E+0
  9.55584E+1 -6.29079E+2  1.04272E+0
  9.59908E+1 -6.29079E+2  1.03659E+0
  9.63074E+1 -6.29079E+2  1.03659E+0
  9.71579E+1 -6.29079E+2  1.02722E+0
  9.74811E+1 -6.29079E+2  1.02722E+0
  9.84914E+1 -6.29079E+2  1.01685E+0
  9.88223E+1 -6.29079E+2  1.01685E+0
  1.05077E+2 -6.29079E+2  9.70416E-1
  1.05450E+2 -6.29079E+2  9.70416E-1
  1.05846E+2 -6.29079E+2  9.65473E-1
  1.06014E+2 -6.29079E+2  9.64405E-1
  1.06224E+2 -6.29079E+2  9.65473E-1
  1.06393E+2 -6.29079E+2  9.64405E-1
  1.09397E+2 -6.29079E+2  9.43831E-1
  1.09800E+2 -6.29079E+2  9.43831E-1
END
WAVES/B/O h_2, k_2, l_2
BEGIN
  1   0   1
  1   0   1
  1   1   0
  1   1   0
  1   0   1
  1   0   1
  1   0   3
  1   0   3
  0   0   4
  0   0   4
  1   1   2
  1   1   2
  2   0   0
  2   0   0
  1   1   1
  1   1   1
  2   1   0
  2   1   0
  2   0   0
  2   0   0
  2   0   2
  2   0   2
  1   0   5
  1   0   5
  2   1   1
  2   1   1
  2   1   1
  2   1   1
  2   2   0
  2   2   0
  2   1   3
  2   1   3
  2   0   4
  0   0   2
  2   0   4
  0   0   2
  3   1   0
  3   1   0
  2   2   1
  2   2   1
  1   1   6
  1   1   6
  3   0   1
  3   0   1
  1   1   2
  1   1   2
  2   2   0
  2   2   0
  3   1   1
  3   1   1
  1   0   7
  1   0   7
  3   2   0
  3   2   0
  2   1   5
  2   1   5
  3   0   1
  3   0   1
END
X Display ycal,yobs,delta vs twoth
X AppendToGraph yphase_1 vs xphase_1
X AppendToGraph yphase_2 vs xphase_2
X ModifyGraph lsize(ycal)=0.7,rgb(ycal)=(0,65535,65535)
X ModifyGraph mode(yobs)=3,msize(yobs)=2,mrkThick(yobs)=0.4,rgb(yobs)=(65535,0,0)
X ModifyGraph lsize(delta)=0.7,rgb(delta)=(1,16019,65535)
X ModifyGraph mode(yphase_1)=3,marker(yphase_1)=10,msize(yphase_1)=3,mrkThick(yphase_1)=0.6,rgb(yphase_1)=(3,52428,1)
X ModifyGraph mode(yphase_2)=3,marker(yphase_2)=10,msize(yphase_2)=3,mrkThick(yphase_2)=0.6,rgb(yphase_2)=(65535,43690,0)
X ModifyGraph tick=2,mirror=1,btLen=5,fSize=14,font="Times",standoff=0,width=624,height=283
X ModifyGraph highTrip(left)=99999,notation(left)=1,nticks(left)=7,tickEnab(left)={-0.1,INF}
X ModifyGraph stLen(bottom)=5,nticks(bottom)=7,minor(bottom)=1,manTick(bottom)={0,20,0,0},manMinor(bottom)={1,0}
X Label left "\\F'Times'\\Z16Intensity"
X Label bottom "\\F'Times'\\Z162\\F'Symbol'\\f02q\\f00\\F'Times'\\Z18 \\Z14/ \\F'Symbol'°"