1 | c=============================================================================== |
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2 | c COLETTE - LOQ data analysis development program - R.Osborn Nov. 1985 |
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3 | c |
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4 | c Produce data in the Special form in workspace i_graph for subsequent |
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5 | c plotting |
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6 | c |
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7 | integer*4 function get_special (n) |
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8 | |
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9 | external cli$_absent |
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10 | character*80 text |
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11 | integer*4 option, type_of_plot, subtract_wkspc |
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12 | logical*1 first_time /.TRUE./, hist |
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13 | |
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14 | include 'COLETTE_SOURCES:COMSMG.INC' |
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15 | include 'COLETTE_COMLOQ:' |
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16 | COMMON/DSPECIAL/SP_E,SP_F,SP_G,SP_H,SP_CX, |
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17 | > SP_A,SP_B,SP_C,SP_D,SP_CY |
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18 | data SP_E,SP_F,SP_G,SP_H,SP_CX/0.,0.,1.,0.,1./, |
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19 | > SP_A,SP_B,SP_C,SP_D,SP_CY/0.,0.,4.,1.,1./ |
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20 | c |
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21 | c==== RKH 29/10/92 |
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22 | C==== pull in something to tell whether we are in POINT mode or not ! |
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23 | c==== will program this for all basic plotting options - should not |
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24 | c==== be relevant for histogram mode ! |
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25 | c==== note COLETTE generates binned data with histogram x boundaries, |
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26 | c==== but these do not behave as proper histograms as the Y values are strictly |
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27 | c==== funtions NOT histograms ! |
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28 | c==== on writing out to file we take mid-points, so OLD'ed data really are |
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29 | C==== point mode ! OLD by default takes mid-points again to generate more |
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30 | C==== histogram x bins, this is OK for dq=constant, but not for log or |
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31 | c==== irregular bins. Hence you can use OLD/POINT, then TOG MODE in GENIE |
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32 | c==== after which D/S ought mow to work properly. |
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33 | c |
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34 | c==== include 'OGENIE_SOURCES:GKSPLOT.CMN' |
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35 | c==== this has equivalent of: |
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36 | common/drtype/type_of_plot, hist |
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37 | |
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38 | c=============================================================================== |
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39 | c Output help screen for special plots |
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40 | |
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41 | if (first_time) then |
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42 | status = smg$create_virtual_display (12, 70, vdid8, smg$m_border) |
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43 | status = smg$put_chars |
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44 | > (vdid8, 'Option nos. of Special Plots of IvQ', 1, 4,, smg$m_underline) |
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45 | status = smg$put_chars |
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46 | > (vdid8, '0: EXIT THIS MENU ', 2, 4) |
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47 | status = smg$put_chars |
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48 | > (vdid8, '1: Guinier (spheres) - Ln(I) v Q**2', 3, 4) |
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49 | status = smg$put_chars |
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50 | > (vdid8, '2: Guinier (rods) - Ln(IQ) v Q**2', 4, 4) |
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51 | status = smg$put_chars |
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52 | > (vdid8, '3: Guinier (sheets) - Ln(IQ**2) v Q**2', 5, 4) |
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53 | status = smg$put_chars |
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54 | > (vdid8, '4: Zimm - 1/I v Q**2', 6, 4) |
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55 | status = smg$put_chars |
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56 | > (vdid8, '5: Kratky - IQ**2 v Q', 7, 4) |
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57 | status = smg$put_chars |
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58 | > (vdid8, '6: Debye-Bueche - 1/SqrtI v Q**2', 8, 4) |
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59 | status = smg$put_chars |
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60 | > (vdid8, '7: Log - Log Ln(I) v Ln(Q)', 9, 4) |
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61 | status = smg$put_chars |
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62 | > (vdid8, '8: Porod IQ**4 v Q',10, 4) |
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63 | status = smg$put_chars |
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64 | >(vdid8,'9: General (Q**A)(I**B)xLn(Q**CxI**D) v similar',11, 4) |
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65 | status = smg$put_chars |
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66 | >(vdid8,'add 100 for true histogram; 91 re-uses last 9 ', 12, 4) |
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67 | first_time = .FALSE. |
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68 | end if |
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69 | |
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70 | status = cli$get_value ('SPECIAL', text, len) |
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71 | |
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72 | if (status .eq. %loc(cli$_absent)) then |
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73 | status = smg$paste_virtual_display (vdid8, pbid, 7, 6) |
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74 | call prompt ('Give option no ==>', text, len) |
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75 | status = smg$unpaste_virtual_display (vdid8,pbid) |
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76 | end if |
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77 | |
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78 | if (len .eq. 0) then |
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79 | get_special = status_not_ok |
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80 | call replace_prompt |
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81 | return |
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82 | end if |
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83 | |
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84 | read (text(1:len), '(i)', err=100) option |
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85 | if (option.eq.0) then |
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86 | get_special=status_not_ok |
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87 | call replace_prompt |
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88 | return |
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89 | endif |
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90 | c=============================================================================== |
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91 | c Subtract background level if required |
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92 | * Modified to allow background to be given in a workspace, SMK, 02-11-92 |
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93 | * Modified to allow background to be given as command line qualifier, SMK |
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94 | |
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95 | status = cli$get_value ('BACKGROUND', text, len) |
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96 | if (status .eq. %loc(cli$_absent)) then |
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97 | call prompt ('Background level ==> ', text, len) |
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98 | end if |
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99 | |
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100 | subtract_wkspc=0 |
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101 | * IF NOTHING GIVEN THEN ASSUME BACKGROUND IS ZERO |
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102 | if (len.eq.0) then |
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103 | bkgd=0.0 |
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104 | * OTHERWISE, CHECK TO SEE IF BACKGROUND IS CONTAINED IN A WORKSPACE |
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105 | else if (text(1:1).eq.'W') then |
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106 | if (len.eq.1) goto 100 |
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107 | read (text(2:len),fmt=*,err=100) j_graph |
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108 | if ( (j_graph.le.0).or. |
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109 | & ((j_graph.ge.15.).and.(j_graph.le.24)).or. |
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110 | & ((j_graph.ge.61.).and.(j_graph.le.69)).or. |
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111 | & (j_graph.gt.used_streams) ) then |
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112 | call error('ERROR: That is a reserved workspace!') |
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113 | goto 102 |
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114 | end if |
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115 | if (npt(j_graph).le.0) then |
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116 | call error('ERROR: That workspace is empty!') |
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117 | goto 102 |
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118 | end if |
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119 | offset_j_graph=len_streams*(j_graph-1) |
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120 | subtract_wkspc=1 |
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121 | * IF BACKGROUND VALUE GIVEN |
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122 | else |
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123 | read (text(1:len),fmt=*,err=100) bkgd |
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124 | end if |
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125 | |
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126 | npt(i_graph) = npt(n) |
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127 | offset_i_graph = len_streams * (i_graph-1) |
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128 | offset_n = len_streams * (n - 1) |
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129 | n1=offset_i_graph+1 |
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130 | n2=offset_i_graph+npt(i_graph) |
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131 | |
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132 | c=============================================================================== |
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133 | c Perform workspace transformation according to option no. |
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134 | c |
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135 | c I(Q) is a function, and we need to treat the data as if we had plotted |
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136 | c it on a graph as points ( i.e it is a ratio not a histogram) so: |
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137 | c 1. determine the values of Q, the midpoints of the X bin boundaries. |
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138 | c 2. transform Y and E to Y' = F(Y) and E' = E*(dF(Y)/dY). |
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139 | c this error calc. assumes the errors are uncorrelated, which is not |
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140 | c actually true e.g. if F(Y)=Y**2 E'= 2.E.F(Y) |
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141 | c wheras one usually takes E'= SQRT(2).E.F(Y) |
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142 | c 3. transform X to X' = f(X). |
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143 | c (do not multiply Y by dX !) |
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144 | c |
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145 | c the rules for histograms are : |
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146 | c 1. multiply Y and E by the Jacobian J(x,x') = dx/dx' which converts |
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147 | c the data from bins in x to bins in x'. |
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148 | c 2. transform Y and E to Y' = F(Y) and E' = E*(dF(Y)/dY). |
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149 | c 3. transform X to X' = f(X). |
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150 | c (do not multiply Y by dX !) |
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151 | c |
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152 | c if(option.eq.4.or.option.eq.104.or.option.eq.6.or.option.eq.106)then |
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153 | cc==== REVERSE the order of the data first |
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154 | c do i = 1,npt(n) |
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155 | c x(n2 + 2 - i) = x(offset_n + i) |
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156 | c y(n2 + 1 - i)=(y(offset_n+i) - bkgd) |
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157 | c e(n2 + 1 - i) = e(offset_n+i) |
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158 | c end do |
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159 | c x(offset_i_graph) = x(offset_n+npt(n)+1) |
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160 | c else |
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161 | |
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162 | * FIRST TAKE OFF THE BACKGROUND |
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163 | if (subtract_wkspc.eq.0) then |
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164 | * FOR SINGLE VALUE |
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165 | do i = 1,npt(n) |
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166 | x(offset_i_graph+i)=x(offset_n+i) |
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167 | y(offset_i_graph+i)=y(offset_n+i) - bkgd |
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168 | e(offset_i_graph+i)=e(offset_n+i) |
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169 | end do |
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170 | x(offset_i_graph+npt(n)+1) = x(offset_n+npt(n)+1) |
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171 | else if (subtract_wkspc.eq.1) then |
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172 | * FOR BACKGROUND IN WORKSPACE |
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173 | if (npt(n).ne.npt(j_graph)) then |
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174 | call error('ERROR: Data & Background workspaces have |
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175 | & different numbers of points. Rebin. ') |
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176 | goto 102 |
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177 | end if |
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178 | do i = 1,npt(n) |
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179 | if (x(offset_n+i).ne.x(offset_j_graph+i)) then |
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180 | call error('ERROR: Data & Background workspaces have |
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181 | & different X scales. Rebin. ') |
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182 | goto 102 |
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183 | end if |
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184 | x(offset_i_graph+i)=x(offset_n+i) |
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185 | y(offset_i_graph+i)=y(offset_n+i) - y(offset_j_graph+i) |
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186 | e(offset_i_graph+i)=e(offset_n+i) |
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187 | end do |
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188 | x(offset_i_graph+npt(n)+1) = x(offset_n+npt(n)+1) |
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189 | end if |
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190 | |
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191 | c end if |
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192 | c |
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193 | c==== Guinier Plot ln(I) vs Q**2 |
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194 | if ( option .eq. 1 ) then |
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195 | do i = n1,n2 |
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196 | if (y(i) .gt. 0.0) then |
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197 | e(i) = e(i)/y(i) |
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198 | y(i) = log( y(i)) |
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199 | else |
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200 | y(i) = 0.0 |
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201 | e(i) = 0.0 |
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202 | end if |
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203 | x(i) = x(i)**2 |
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204 | end do |
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205 | x(n2+1)=x(n2+1)**2 |
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206 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
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207 | ycaption(i_graph) = 'log\de\u(I)' |
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208 | |
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209 | c==== Guinier Plot (rods) ln(IQ) vs Q**2 |
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210 | |
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211 | else if (option .eq. 2) then |
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212 | c |
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213 | do i=n1,n2 |
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214 | if (y(i) .gt. 0.0) then |
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215 | |
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216 | if(hist)then |
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217 | Q = (x(i)+x(i+1))*0.5 |
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218 | else |
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219 | Q = x(i) |
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220 | end if |
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221 | |
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222 | e(i) = e(i)/y(i) |
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223 | y(i) = log( y(i)*Q) |
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224 | else |
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225 | y(i) = 0.0 |
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226 | e(i) = 0.0 |
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227 | end if |
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228 | x(i) = x(i)**2 |
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229 | end do |
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230 | x(n2+1)=x(n2+1)**2 |
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231 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
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232 | ycaption(i_graph) = 'log\de\u(IQ)' |
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233 | |
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234 | c==== Guinier Plot (sheets) ln(I.Q**2) vs Q**2 |
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235 | |
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236 | else if (option .eq. 3) then |
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237 | c |
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238 | do i=n1,n2 |
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239 | if (y(i) .gt. 0.0) then |
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240 | |
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241 | if(hist)then |
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242 | Q = (x(i)+x(i+1))*0.5 |
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243 | else |
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244 | Q = x(i) |
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245 | end if |
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246 | |
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247 | e(i) = e(i)/y(i) |
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248 | y(i) = log( y(i)*Q**2) |
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249 | else |
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250 | y(i) = 0.0 |
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251 | e(i) = 0.0 |
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252 | end if |
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253 | x(i) = x(i)**2 |
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254 | end do |
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255 | x(n2+1)=x(n2+1)**2 |
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256 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
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257 | ycaption(i_graph) = 'log\de\u(I.Q\u2\d)' |
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258 | |
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259 | c==== Zimm Plot 1/I vs Q**2 |
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260 | |
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261 | else if (option .eq. 4) then |
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262 | c |
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263 | do i=n1,n2 |
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264 | if(y(i).gt.0.0)then |
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265 | y(i) = 1.0 / y(i) |
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266 | e(i) = e(i) * y(i)**2 |
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267 | else |
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268 | e(i)=0.0 |
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269 | y(i)=0.0 |
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270 | end if |
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271 | x(i) = x(i)**2 |
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272 | end do |
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273 | x(n2+1)=x(n2+1)**2 |
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274 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
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275 | ycaption(i_graph) = 'I\u-1\d' |
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276 | |
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277 | c==== Kratky Plot I.Q**2 vs Q (changed from Q**2, RKH 15/4/92) |
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278 | |
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279 | else if (option .eq. 5) then |
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280 | c |
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281 | do i=n1,n2 ! multiply y by Q**2 |
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282 | |
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283 | if(hist)then |
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284 | Q = (x(i)+x(i+1))*0.5 |
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285 | else |
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286 | Q = x(i) |
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287 | end if |
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288 | |
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289 | y(i) = y(i)*Q**2 |
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290 | e(i) = e(i)*Q**2 |
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291 | end do |
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292 | xcaption(i_graph) = 'Q (\A\u-1\d)' |
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293 | ycaption(i_graph) = 'I.Q\u2\d' |
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294 | c |
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295 | c==== Debye-Bueche Plot 1/sqrt(I) vs Q**2 |
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296 | c |
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297 | else if (option .eq. 6) then |
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298 | c |
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299 | do i = n1,n2 |
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300 | if (y(i) .gt. 0.0) then |
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301 | y(i) = 1 / sqrt (y(i)) |
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302 | e(i) = e(i)*0.5* y(i)**3 |
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303 | else |
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304 | y(i) = 0.0 |
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305 | e(i) = 0.0 |
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306 | end if |
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307 | x(i) = x(i)**2 |
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308 | end do |
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309 | x(n2+1)=x(n2+1)**2 |
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310 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
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311 | ycaption(i_graph) = 'I\u-\(261)\d' |
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312 | c |
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313 | c==== LOG - LOG plot |
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314 | else if (option .eq. 7)then |
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315 | ii=n2 |
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316 | if(hist)ii=n2+1 |
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317 | do i=n1,ii |
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318 | if (x(i) .gt. 0) then |
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319 | x(i)= log(x(i)) |
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320 | else |
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321 | call error('ERROR: log of negative or zero in x array') |
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322 | get_special = status_not_ok |
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323 | call replace_prompt |
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324 | return |
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325 | end if |
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326 | end do |
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327 | c |
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328 | do i= n1,n2 |
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329 | if (y(i) .gt. 0) then |
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330 | e(i) = e(i) / y(i) |
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331 | y(i) = log( y(i)) |
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332 | else |
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333 | y(i) = 0 |
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334 | e(i) = 0 |
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335 | endif |
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336 | end do |
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337 | xcaption(i_graph) = 'log\de\u(Q)' |
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338 | ycaption(i_graph) = 'log\de\u(I)' |
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339 | c |
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340 | c==== Porod Plot I.Q**4 vs Q |
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341 | c |
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342 | else if (option .eq. 8) then |
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343 | c |
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344 | do i = n1,n2 |
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345 | |
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346 | if(hist)then |
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347 | Q = (x(i)+x(i+1))*0.5 |
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348 | else |
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349 | Q = x(i) |
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350 | end if |
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351 | |
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352 | y(i) = y(i)*Q**4 |
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353 | e(i) = e(i)*Q**4 |
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354 | end do |
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355 | c |
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356 | xcaption(i_graph) = 'Q (\A\u-1\d)' |
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357 | ycaption(i_graph) = 'I.Q\u4\d' |
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358 | c |
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359 | c=== general function (Q**A)(I**B)xLn(Q**CxI**D) v similar', |
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360 | else if( option .eq. 9 .or. option .eq. 91) then |
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361 | if (option.eq. 9)then |
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362 | status=smg$save_physical_screen(pbid,save_vdid,4) |
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363 | write(6,1001) |
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364 | 1001 format(1x,'Special function plots',/, |
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365 | * ' Q and I are transformed by equations of the type:',/, |
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366 | * ' Q = Q^A * I^B * LOGe( Q^C * I^D * E)',/, |
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367 | * ' I = Q^F * I^G * LOGe( Q^H * I^I * J)',/, |
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368 | * ' (Note: LOGe(0.0) is taken as 1.0 )',/, |
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369 | * ' Please enter A, B, C, D & E >>> ',$) |
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370 | read(5,*)SP_E,SP_F,SP_G,SP_H,SP_CX |
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371 | write(6,1002) |
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372 | 1002 format(/,' Please enter F, G, H, I & J >>> ',$) |
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373 | read(5,*)SP_A,SP_B,SP_C,SP_D,SP_CY |
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374 | c23456789012345678901234567890123456789012345678901234567890123456789012345678901234567890 |
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375 | write(6,1003)SP_E,SP_F,SP_G,SP_H,SP_CX,SP_A,SP_B,SP_C,SP_D,SP_CY |
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376 | 1003 format(1x,' CHECK: Q = Q**',f6.3,' * I**',f6.3, |
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377 | & ' * LOGe{ Q**',f6.3,' * I**',f6.3,' * ',f6.3,' }',/, |
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378 | & 1x,' I = Q**',f6.3,' * I**',f6.3, |
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379 | & ' * LOGe{ Q**',f6.3,' * I**',f6.3,' * ',f6.3,' }',/, |
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380 | & 2x,' OK [Answer 1=YES, 0=NO]? ') |
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381 | read(5,*)i |
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382 | if(i.ne.1)then |
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383 | get_special = status_not_ok |
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384 | status=smg$restore_physical_screen(pbid,save_vdid) |
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385 | call replace_prompt |
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386 | return |
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387 | end if |
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388 | c |
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389 | else |
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390 | call remark(' using previous special function') |
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391 | end if |
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392 | c==== store the original mid point x values and transform the old ones |
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393 | c==== function PW(a,b) does a**b, function Slog does LOG( ) both |
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394 | c==== checking for errors where possible. |
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395 | offset = len_streams * (used_streams - (i_graph-1)) |
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396 | c==== new x(i) values are transform of old x(i) and old y(i) |
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397 | c==== except last point of histogram where use last old x(n2+1), y(n2) |
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398 | c==== sorted out a muddle in the offsets here RKH 29/10/92 |
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399 | do i = n1 , n2 |
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400 | Q=x(i) |
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401 | x(i) = PW(y(i),SP_F) * PW(Q,SP_E) * |
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402 | > Slog( PW(y(i),SP_H) * PW(Q,SP_G) * SP_CX ) |
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403 | end do |
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404 | if(hist)x(n2+1) = PW(y(n2),SP_F) * PW( x(n2+1),SP_E ) * |
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405 | > Slog( PW(y(n2),SP_H) * PW( x(n2+1),SP_G )* SP_CX ) ! fix up the last point |
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406 | c |
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407 | c==== new y(i) values are transform of old midpoint ( x(i), x(i+1) ) |
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408 | c==== if histogram,[ or just x(i) if not ] with old y(i) |
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409 | ii=0 |
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410 | do i= n1,n2 |
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411 | ii=ii+1 |
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412 | c==== care to point at the OLD x values ! |
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413 | if(hist)then |
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414 | Q = (x(offset_n + ii)+x(offset_n + ii+1))*0.5 |
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415 | else |
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416 | Q = x(offset_n +ii) |
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417 | end if |
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418 | |
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419 | XCYD = PW( y(i),SP_D ) * PW( Q,SP_C ) * SP_CY |
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420 | RLG = Slog( XCYD ) |
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421 | e(i) = e(i)* PW(Q,SP_A) * ( DERV(y(i),SP_B) * RLG + |
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422 | > PW(y(i),SP_B) * PW(XCYD,-1.0) * PW( Q,SP_C ) * |
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423 | > SP_CY * DERV(y(i),SP_D) ) |
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424 | |
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425 | y(i) = PW( y(i),SP_B ) * PW( Q,SP_A ) * RLG |
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426 | end do |
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427 | |
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428 | status=smg$restore_physical_screen(pbid,save_vdid) |
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429 | xcaption(i_graph) = 'Special' |
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430 | ycaption(i_graph) = 'Special' |
---|
431 | |
---|
432 | c======================= SECTION FOR HISTOGRAM DATA =========== |
---|
433 | c=====do not multiply by dX first! |
---|
434 | c note Q is given by Q(i) = (x(i)+x(i+1))/2. |
---|
435 | c QJ is the Jacobian = dx/dx'. For x=Q and x'=Q**2, QJ=1/2Q. |
---|
436 | c==== Guinier Plot |
---|
437 | else if (option .eq. 101) then |
---|
438 | c |
---|
439 | do i = n1,n2 |
---|
440 | QJ = 1/(x(i) + x(i+1)) |
---|
441 | y(i) = y(i)*QJ |
---|
442 | e(i) = e(i)*QJ |
---|
443 | if (y(i) .gt. 0.0) then |
---|
444 | e(i) = e(i)/y(i) |
---|
445 | y(i) = log( y(i)) |
---|
446 | else |
---|
447 | y(i) = 0.0 |
---|
448 | e(i) = 0.0 |
---|
449 | end if |
---|
450 | end do |
---|
451 | c |
---|
452 | do i=n1,n2+1 ! convert x to Q**2 |
---|
453 | x(i) = x(i) ** 2 |
---|
454 | end do |
---|
455 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
---|
456 | ycaption(i_graph) = 'log\de\u(I)' |
---|
457 | |
---|
458 | c==== Guinier Plot (rods) |
---|
459 | |
---|
460 | else if (option .eq.102) then |
---|
461 | c |
---|
462 | do i = n1,n2 |
---|
463 | QJ = 1/(x(i) + x(i+1)) |
---|
464 | y(i) = y(i)*QJ |
---|
465 | e(i) = e(i)*QJ |
---|
466 | if (y(i) .gt. 0.0) then |
---|
467 | e(i) = e(i)/y(i) |
---|
468 | y(i) = log( y(i)/(2*QJ)) |
---|
469 | else |
---|
470 | y(i) = 0.0 |
---|
471 | e(i) = 0.0 |
---|
472 | end if |
---|
473 | end do |
---|
474 | c |
---|
475 | do i=n1,n2+1 ! convert x to Q**2 |
---|
476 | x(i) = x(i) ** 2 |
---|
477 | end do |
---|
478 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
---|
479 | ycaption(i_graph) = 'log\de\u(I.Q)' |
---|
480 | |
---|
481 | c==== Guinier Plot (sheets) |
---|
482 | |
---|
483 | else if (option .eq. 103) then |
---|
484 | c |
---|
485 | do i = n1,n2 |
---|
486 | QJ = 1/(x(i) + x(i+1)) |
---|
487 | y(i) = y(i)*QJ |
---|
488 | e(i) = e(i)*QJ |
---|
489 | if (y(i) .gt. 0.0) then |
---|
490 | e(i) = e(i)/y(i) |
---|
491 | y(i) = log( y(i)/(4*QJ*QJ)) |
---|
492 | else |
---|
493 | y(i) = 0.0 |
---|
494 | e(i) = 0.0 |
---|
495 | end if |
---|
496 | end do |
---|
497 | c |
---|
498 | do i=n1,n2+1 ! convert x to Q**2 |
---|
499 | x(i) = x(i) ** 2 |
---|
500 | end do |
---|
501 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
---|
502 | ycaption(i_graph) = 'log\de\u(I.Q\u2\d)' |
---|
503 | |
---|
504 | c==== Zimm Plot 1/I vs Q**2 |
---|
505 | |
---|
506 | else if (option .eq. 104) then |
---|
507 | c |
---|
508 | do i=n1,n2 |
---|
509 | if(y(i).gt.0.0)then |
---|
510 | QJ = 1/(x(i) + x(i+1)) |
---|
511 | y(i) = y(i)*QJ |
---|
512 | e(i) = e(i)*QJ |
---|
513 | y(i) = 1/y(i) |
---|
514 | e(i) = e(i)*y(i)**2 |
---|
515 | else |
---|
516 | e(i)=0.0 |
---|
517 | y(i)=0.0 |
---|
518 | end if |
---|
519 | end do |
---|
520 | c |
---|
521 | do i=n1,n2+1 |
---|
522 | x(i)=x(i)**2 |
---|
523 | end do |
---|
524 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
---|
525 | ycaption(i_graph) = 'I\u-1\d' |
---|
526 | |
---|
527 | c==== Kratky Plot I.Q**2 vs Q (changed from Q**2 RKH 15/4/92) |
---|
528 | |
---|
529 | else if (option .eq. 105) then |
---|
530 | c |
---|
531 | do i=n1,n2 ! multiply y by Q**2 |
---|
532 | c QJ = 1/(x(i) + x(i+1)) |
---|
533 | c y(i) = y(i)*QJ |
---|
534 | c e(i) = e(i)*QJ |
---|
535 | c y(i) = y(i)/(4*QJ*QJ) |
---|
536 | c e(i) = e(i)/(4*QJ*QJ) |
---|
537 | QJ = 0.5*(x(i) + x(i+1)) |
---|
538 | y(i) = y(i)*QJ*QJ |
---|
539 | e(i) = e(i)*QJ*QJ |
---|
540 | end do |
---|
541 | c |
---|
542 | c do i=n1,n2+1 |
---|
543 | c x(i)=x(i)**2 |
---|
544 | c end do |
---|
545 | xcaption(i_graph) = 'Q (\A\u-1\d)' |
---|
546 | ycaption(i_graph) = 'I.Q\u2\d' |
---|
547 | c |
---|
548 | c==== Debye-Bueche Plot 1/sqrt(I) vs Q**2 |
---|
549 | c |
---|
550 | else if (option .eq. 106) then |
---|
551 | c |
---|
552 | do i=n1,n2 |
---|
553 | QJ = 1/(x(i) + x(i+1)) |
---|
554 | y(i) = y(i)*QJ |
---|
555 | e(i) = e(i)*QJ |
---|
556 | if(y(i).gt.0.0)then |
---|
557 | y(i) = 1/sqrt(y(i)) |
---|
558 | e(i) = e(i)*0.5*y(i)**3 |
---|
559 | else |
---|
560 | e(i)=0.0 |
---|
561 | y(i)=0.0 |
---|
562 | end if |
---|
563 | end do |
---|
564 | c |
---|
565 | do i=n1,n2+1 |
---|
566 | x(i)=x(i)**2 |
---|
567 | end do |
---|
568 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
---|
569 | ycaption(i_graph) = 'I.Q\u2\d' |
---|
570 | c |
---|
571 | c==== LOG - LOG plot |
---|
572 | else if (option .eq. 107)then |
---|
573 | c |
---|
574 | do i= n1,n2 |
---|
575 | Q = (x(i) + x(i+1))/2 |
---|
576 | y(i) = y(i)/Q |
---|
577 | e(i) = e(i)/Q |
---|
578 | if(y(i).gt.0)then |
---|
579 | e(i) = e(i)/y(i) |
---|
580 | y(i) = log( y(i)) |
---|
581 | else |
---|
582 | y(i)=0 |
---|
583 | e(i)=0 |
---|
584 | endif |
---|
585 | end do |
---|
586 | c |
---|
587 | do i=n1,n2+1 |
---|
588 | if(x(i).gt.0)then |
---|
589 | x(i)= log(x(i)) |
---|
590 | else |
---|
591 | call error('ERROR: log of negative or zero in x array') |
---|
592 | get_special = status_not_ok |
---|
593 | call replace_prompt |
---|
594 | return |
---|
595 | end if |
---|
596 | end do |
---|
597 | xcaption(i_graph) = 'log\de\u(Q)' |
---|
598 | ycaption(i_graph) = 'log\de\u(I)' |
---|
599 | |
---|
600 | c==== Porod Plot I.Q**4 vs Q**2 |
---|
601 | c |
---|
602 | else if (option .eq. 108) then |
---|
603 | c |
---|
604 | do i = n1,n2 |
---|
605 | Q = (x(i) + x(i+1))/2 |
---|
606 | y(i) = y(i)*Q**4 |
---|
607 | e(i) = e(i)*Q**4 |
---|
608 | end do |
---|
609 | c |
---|
610 | do i=n1,n2+1 |
---|
611 | x(i)=x(i)**2 |
---|
612 | end do |
---|
613 | xcaption(i_graph) = 'Q\u2\d (\A\u-2\d)' |
---|
614 | ycaption(i_graph) = 'I.Q\u4\d' |
---|
615 | c |
---|
616 | c=== general function (Q**A)(I**B)xLn(Q**CxI**D) v similar', |
---|
617 | else if( option .eq. 109) then |
---|
618 | status=smg$save_physical_screen(pbid,save_vdid,4) |
---|
619 | write(6,1001) |
---|
620 | read(5,*)A,B,C,D,CY |
---|
621 | write(6,1002) |
---|
622 | read(5,*)EE,F,G,H,CX |
---|
623 | write(6,1003)A,B,C,D,CY,EE,F,G,H,CX |
---|
624 | read(5,*)I |
---|
625 | if(I.ne.1)then |
---|
626 | get_special = status_not_ok |
---|
627 | call replace_prompt |
---|
628 | return |
---|
629 | end if |
---|
630 | c==== store the original x values and transform the old ones |
---|
631 | c==== function PW(a,b) does a**b, function Slog does LOG( ) both |
---|
632 | c==== checking for errors where possible. |
---|
633 | offset = len_streams * (used_streams - (i_graph-1)) |
---|
634 | do i = n1 , n2 |
---|
635 | x(i+offset) =0.5*( x(i+1) + x(i)) |
---|
636 | yy= 0.5*(y(i+1)+y(i)) |
---|
637 | x(i) = PW(yy,F) * PW(x(i),EE) * |
---|
638 | > Slog( PW(yy,H) * PW(x(i),G) * CX ) |
---|
639 | end do |
---|
640 | x(n2+1) = PW(yy,F) * PW(x(n2+1),EE) * Slog( PW(yy,H) |
---|
641 | > * PW(x(n2+1),G)* CX ) ! fix up the last point |
---|
642 | c |
---|
643 | c==== now rescale the old Y and E before transforming them |
---|
644 | do i=n1,n2 |
---|
645 | y(i) = y(i) / (x(i+1)-x(i)) |
---|
646 | e(i) = e(i) / (x(i+1)-x(i)) |
---|
647 | XCYD = PW(y(i),D) * PW(x(i+offset),C) * CY |
---|
648 | RLG = Slog( XCYD ) |
---|
649 | e(i) = e(i)* PW(x(i+offset),A) * ( DERV(y(i),B) * RLG + |
---|
650 | > PW(y(i),B) * PW(XCYD,-1.0) * PW( x(i+offset),C ) * |
---|
651 | > CY * DERV(y(i),D) ) |
---|
652 | |
---|
653 | y(i) = PW(y(i),B) * PW(x(i+offset),A) * RLG |
---|
654 | end do |
---|
655 | |
---|
656 | status=smg$restore_physical_screen(pbid,save_vdid) |
---|
657 | xcaption(i_graph) = 'Special' |
---|
658 | ycaption(i_graph) = 'Special' |
---|
659 | |
---|
660 | end if |
---|
661 | |
---|
662 | xmn(i_graph) = x(n1) |
---|
663 | xmx(i_graph) = x(n2) |
---|
664 | if(hist)xmx(i_graph) = x(n2+1) |
---|
665 | ymn(i_graph) = y(n1) |
---|
666 | ymx(i_graph) = y(n1) |
---|
667 | do i = n1,n2 |
---|
668 | ymn(i_graph) = min (ymn(i_graph), y(i)) |
---|
669 | ymx(i_graph) = max (ymx(i_graph), y(i)) |
---|
670 | end do |
---|
671 | |
---|
672 | c=============================================================================== |
---|
673 | c copy header into workspace i_graph |
---|
674 | c |
---|
675 | long_title(i_graph) = long_title(n) |
---|
676 | run_number(i_graph) = run_number(n) |
---|
677 | dat_file(i_graph) = dat_file(n) |
---|
678 | run_user(i_graph) = run_user(n) |
---|
679 | start_time(i_graph) = start_time(n) |
---|
680 | bin_parameter(i_graph) = bin_parameter(n) |
---|
681 | len_pdfn(i_graph) = len_pdfn(n) |
---|
682 | |
---|
683 | c=============================================================================== |
---|
684 | c Fill workspace |
---|
685 | |
---|
686 | write (text, '(i5)') n |
---|
687 | work(i_graph).label_1 = 'WORKSPACE : '//text |
---|
688 | if (work(n).lambda_max .gt. 0) then |
---|
689 | write (text, '(f5.2, a, f5.2, a)') |
---|
690 | > lambda_min, ' > ', lambda_max, ' Ang' |
---|
691 | work(i_graph).label_2 = 'LAMBDAS : '//text |
---|
692 | else |
---|
693 | work(i_graph).label_2 = 'All wavelengths' |
---|
694 | end if |
---|
695 | write (text, '(f5.0, a, f5.0, a)') phi_min,' > ',phi_max, ' deg' |
---|
696 | work(i_graph).label_3 = 'PHI : '//text |
---|
697 | xcode(i_graph) = 7 |
---|
698 | ycode(i_graph) = xcode(i_graph) |
---|
699 | |
---|
700 | work(i_graph).nsp_first = work(n).nsp_first |
---|
701 | work(i_graph).nsp_last = work(n).nsp_last |
---|
702 | work(i_graph).lambda_min = work(n).lambda_min |
---|
703 | work(i_graph).lambda_max = work(n).lambda_max |
---|
704 | work(i_graph).t_min = work(n).t_min |
---|
705 | work(i_graph).t_max = work(n).t_max |
---|
706 | work(i_graph).r_min = work(n).r_min |
---|
707 | work(i_graph).r_max = work(n).r_max |
---|
708 | work(i_graph).sample_file = work(n).sample_file |
---|
709 | work(i_graph).can_file = work(n).can_file |
---|
710 | work(i_graph).norm_file = work(n).norm_file |
---|
711 | work(i_graph).back_file = work(n).back_file |
---|
712 | |
---|
713 | get_special = status_ok |
---|
714 | |
---|
715 | goto 101 |
---|
716 | |
---|
717 | 100 call error ('ERROR: Invalid entry') |
---|
718 | |
---|
719 | 102 get_special = status_not_ok |
---|
720 | |
---|
721 | 101 call replace_prompt |
---|
722 | |
---|
723 | return |
---|
724 | |
---|
725 | end |
---|
726 | c |
---|
727 | c=============================================================================== |
---|
728 | c COLETTE - LOQ data analysis development program - R.Heenan 3/9/87 |
---|
729 | c |
---|
730 | c=== this function does A**B, trying to avoid error returns |
---|
731 | c=== it doe NOT try to anticipate overflows however. |
---|
732 | c |
---|
733 | function pw(a,b) |
---|
734 | c |
---|
735 | if(abs(a).lt.1.0e-30)then ! 0**n or 0**-n are set zero |
---|
736 | pw=0.0 |
---|
737 | c |
---|
738 | else if (abs(b).lt.1.0e-08)then ! a**0 is set to 1.0 |
---|
739 | pw=1.0 |
---|
740 | c |
---|
741 | else if(a.lt.0.0)then ! test for (-a)**b |
---|
742 | c |
---|
743 | if( abs( b - nint(b) ).lt.1.e-08 ) then |
---|
744 | if(nint(b).eq.1)then |
---|
745 | pw = a ! (-a)**1 |
---|
746 | else if(nint(b).eq.-1)then |
---|
747 | pw = 1./a ! (-a)**(-1) |
---|
748 | else |
---|
749 | if(mod(nint(b),2).eq.0)then |
---|
750 | pw=(-a)**b |
---|
751 | else |
---|
752 | pw=-(-a)**b |
---|
753 | end if |
---|
754 | end if |
---|
755 | return |
---|
756 | else |
---|
757 | write(6,1005) |
---|
758 | 1005 format(1x,'ERROR: negative number to non-integral power') |
---|
759 | pw=0.0 |
---|
760 | return |
---|
761 | end if |
---|
762 | return |
---|
763 | c |
---|
764 | else |
---|
765 | pw=a**b ! the "normal" route |
---|
766 | c |
---|
767 | end if |
---|
768 | return |
---|
769 | c |
---|
770 | end |
---|
771 | c |
---|
772 | c |
---|
773 | c=============================================================================== |
---|
774 | c COLETTE - LOQ data analysis development program - R.Heenan 3/9/87 |
---|
775 | c |
---|
776 | c=== this function does the derivative of A**B, with respect to A |
---|
777 | c=== trying to avoid error returns |
---|
778 | c=== it doe NOT try to anticipate overflows however. |
---|
779 | c |
---|
780 | function derv(a,b) |
---|
781 | c |
---|
782 | if( abs(a).lt.1.0e-30 ) then |
---|
783 | derv = 0.0 |
---|
784 | c |
---|
785 | else if ( abs(b) .lt.1.0e-08 ) then |
---|
786 | derv = 0.0 |
---|
787 | c |
---|
788 | else |
---|
789 | derv = b* PW( a, b-1.0 ) |
---|
790 | end if |
---|
791 | c |
---|
792 | return |
---|
793 | end |
---|
794 | c |
---|
795 | c=============================================================================== |
---|
796 | c COLETTE - LOQ data analysis development program - R.Heenan 3/9/87 |
---|
797 | c |
---|
798 | c=== this function does LOGe(a), trying to avoid error returns |
---|
799 | c |
---|
800 | function Slog(a) |
---|
801 | if(a.gt.0.0)then |
---|
802 | slog = log(a) |
---|
803 | else |
---|
804 | slog = 1.0 |
---|
805 | end if |
---|
806 | return |
---|
807 | end |
---|
808 | c |
---|