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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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0642749631
All reactant structs have been removed. Tony's pressure uses mu in pressure term of log_k. Test cases run, discriminant check at 1e-8. Still want to optimize out some k_temp calls and checks for same T, P, mu. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
168 lines
18 KiB
Plaintext
168 lines
18 KiB
Plaintext
dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
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0.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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1.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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2.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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3.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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4.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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5.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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6.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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7.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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8.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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9.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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10.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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11.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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12.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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13.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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14.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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15.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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16.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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17.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
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19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
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0.5 1.686181418415e+01 1.686181419284e+01 7.138185798941e+00 2.011377529332e+01 4.381717721796e-06 5.063555346725e-04
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1.5 6.421492325960e+00 6.421492401967e+00 1.757850758483e+01 1.294968671951e+01 1.730376465522e-05 5.107739267529e-04
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2.5 1.759908541854e+00 1.759908596887e+00 2.224009139343e+01 7.342808261321e+00 3.561257289983e-05 9.048612448232e-05
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3.5 3.571924631562e-01 3.571924817824e-01 2.364280751303e+01 3.623408283684e+00 4.959925523711e-05 -3.731213350944e-05
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4.5 5.490209781370e-02 5.490210180416e-02 2.394509789598e+01 1.538555967129e+00 5.006313596726e-05 -1.979378199416e-05
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5.5 6.484238380348e-03 6.484238983034e-03 2.399351576029e+01 5.556625533113e-01 3.820767165714e-05 -4.068366980650e-06
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6.5 5.926340095484e-04 5.926340766452e-04 2.399940736579e+01 1.684990632469e-01 2.262672987200e-05 -4.892608394199e-07
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7.5 4.190926756604e-05 4.190927316645e-05 2.399995809079e+01 4.224784404205e-02 1.054699173423e-05 -3.917411153370e-08
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8.5 2.276345750780e-06 2.276346101868e-06 2.399999772377e+01 8.664946370896e-03 3.823149392506e-06 -2.231772077920e-09
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9.5 1.396593677778e-07 1.396593921609e-07 2.399999986047e+01 2.055609847093e-03
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10.5 1.138869021831e-06 1.138869196842e-06 2.399999886125e+01 4.374443607427e-03
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11.5 2.090811414205e-05 2.090811693115e-05 2.399997909198e+01 2.044715368548e-02
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12.5 2.951795282278e-04 2.951795617164e-04 2.399970482044e+01 7.995922685941e-02
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13.5 3.221164570742e-03 3.221164872776e-03 2.399677883486e+01 2.567109777341e-01
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14.5 2.715473190226e-02 2.715473392144e-02 2.397284526516e+01 6.850286499844e-01
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15.5 1.753541123879e-01 1.753541220807e-01 2.382464587577e+01 1.533872870596e+00
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16.5 8.525032220200e-01 8.525032534629e-01 2.314749674271e+01 2.902126148041e+00
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17.5 3.032149931402e+00 3.032149994217e+00 2.096785000079e+01 4.663139220104e+00
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18.5 7.550952821146e+00 7.550952899111e+00 1.644904709715e+01 6.385483516941e+00
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19.5 1.235834674495e+01 1.235834684370e+01 1.164165315612e+01 7.468268986482e+00
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dist_x temp
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-99 0.000000000000e+00
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-99 0.000000000000e+00
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dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
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0.166667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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0.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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0.833333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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1.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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1.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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1.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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2.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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2.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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2.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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3.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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3.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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3.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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4.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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4.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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4.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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5.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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5.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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5.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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6.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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6.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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6.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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7.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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7.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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7.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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8.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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8.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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8.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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9.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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9.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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9.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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10.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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10.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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10.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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11.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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11.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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11.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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12.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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12.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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12.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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13.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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13.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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13.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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14.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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14.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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14.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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15.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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15.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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15.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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16.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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16.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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16.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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17.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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17.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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17.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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18.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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18.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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18.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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19.1667 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
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19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
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19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
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0.166667 2.173421305916e+01 2.173421306342e+01 2.265786933712e+00 2.269804666236e+01
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0.5 1.732877230198e+01 1.732877231884e+01 6.671227673615e+00 2.011806700228e+01 9.000875959495e-08 3.939740867305e-05
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0.833333 1.328083118787e+01 1.328083122257e+01 1.071916876673e+01 1.760855984606e+01
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1.16667 9.764783869793e+00 9.764783923618e+00 1.423521606399e+01 1.521226338247e+01
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1.5 6.876979954453e+00 6.876980022626e+00 1.712301996454e+01 1.296594983177e+01 1.040652400256e-06 5.528630609393e-05
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1.83333 4.633445178532e+00 4.633445251914e+00 1.936655473577e+01 1.089878644686e+01
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2.16667 2.983957613764e+00 2.983957682794e+00 2.101604230601e+01 9.031332911181e+00
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2.5 1.835670035272e+00 1.835670093235e+00 2.216432989702e+01 7.375218041940e+00 3.202792281528e-06 1.472462813423e-05
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2.83333 1.078309641703e+00 1.078309685853e+00 2.292169030594e+01 5.933464823777e+00
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3.16667 6.047271172834e-01 6.047271481586e-01 2.339527284513e+01 4.701369003160e+00
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3.5 3.237687663205e-01 3.237687863242e-01 2.367623120832e+01 3.667790507030e+00 5.217031890236e-06 -3.888438051283e-06
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3.83333 1.655091653734e-01 1.655091774622e-01 2.383449081836e+01 2.816693051604e+00
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4.16667 8.080184009388e-02 8.080184694353e-02 2.391919814986e+01 2.128765894911e+00
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4.5 3.768529738011e-02 3.768530103343e-02 2.396231469660e+01 1.582979760725e+00 5.639342371373e-06 -2.576981223427e-06
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4.83333 1.679748179371e-02 1.679748363367e-02 2.398320251464e+01 1.157961083144e+00
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5.16667 7.158658672534e-03 7.158659549799e-03 2.399284133922e+01 8.331082803360e-01
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5.5 2.918406916536e-03 2.918407313317e-03 2.399708159183e+01 5.894142528790e-01 4.455972089426e-06 -5.025353109335e-07
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5.83333 1.138704483513e-03 1.138704654052e-03 2.399886129476e+01 4.099953343109e-01
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6.16667 4.254614091982e-04 4.254614789557e-04 2.399957453813e+01 2.803548753968e-01
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6.5 1.523110828883e-04 1.523111100792e-04 2.399984768864e+01 1.884278508345e-01 2.697942284339e-06 -4.893787285391e-08
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6.83333 5.227158933236e-05 5.227159944403e-05 2.399994772825e+01 1.244614394094e-01
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7.16667 1.720693831522e-05 1.720694190650e-05 2.399998279298e+01 8.078687428793e-02
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7.5 5.436060934909e-06 5.436062154238e-06 2.399999456390e+01 5.153218578899e-02 1.262649987297e-06 -2.700900521482e-09
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7.83333 1.649088195275e-06 1.649088591397e-06 2.399999835090e+01 3.231618817421e-02
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8.16667 4.806358157844e-07 4.806359390206e-07 2.399999951937e+01 1.995341519399e-02
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8.5 1.346685590700e-07 1.346685958189e-07 2.399999986535e+01 1.218943044691e-02 2.986653164921e-07 -9.009457187016e-11
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8.83333 3.634651793240e-08 3.634652846317e-08 2.399999996368e+01 7.477181954110e-03
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9.16667 9.688299803978e-09 9.688302784800e-09 2.399999999035e+01 4.798414842280e-03
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9.5 3.521245209155e-09 3.521246352845e-09 2.399999999651e+01 3.529705335044e-03
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9.83333 5.266729325119e-09 5.266730973914e-09 2.399999999477e+01 3.350197790838e-03
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10.1667 1.826814042878e-08 1.826814578554e-08 2.399999998177e+01 4.187174718012e-03
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10.5 6.734157441183e-08 6.734159300588e-08 2.399999993269e+01 6.195634765147e-03
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10.8333 2.402572726136e-07 2.402573349953e-07 2.399999975977e+01 9.768547400311e-03
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11.1667 8.242629300769e-07 8.242631307719e-07 2.399999917575e+01 1.557488011752e-02
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11.5 2.716856871595e-06 2.716857489994e-06 2.399999728315e+01 2.462240289779e-02
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11.8333 8.598766106045e-06 8.598767929449e-06 2.399999140121e+01 3.834130427905e-02
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12.1667 2.611765408526e-05 2.611765922573e-05 2.399997388229e+01 5.868256892001e-02
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12.5 7.608821445992e-05 7.608822830280e-05 2.399992391168e+01 8.822180939117e-02
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12.8333 2.124903882618e-04 2.124904238350e-04 2.399978750942e+01 1.302549940490e-01
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13.1667 5.685276979853e-04 5.685277851275e-04 2.399943147197e+01 1.888677435755e-01
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13.5 1.456485427866e-03 1.456485631121e-03 2.399854351400e+01 2.689553860817e-01
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13.8333 3.570725867122e-03 3.570726317950e-03 2.399642927315e+01 3.761678784768e-01
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14.1667 8.372605102191e-03 8.372606051773e-03 2.399162739320e+01 5.167533414734e-01
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14.5 1.876649314861e-02 1.876649504502e-02 2.398123350393e+01 6.972776485207e-01
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14.8333 4.018818934234e-02 4.018819292708e-02 2.395981180570e+01 9.242063091067e-01
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15.1667 8.218523044497e-02 8.218523684627e-02 2.391781476136e+01 1.203349228727e+00
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15.5 1.604251797020e-01 1.604251904775e-01 2.383957480726e+01 1.539188295217e+00
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15.8333 2.987842293055e-01 2.987842463660e-01 2.370121575085e+01 1.934130436525e+00
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16.1667 5.307560799548e-01 5.307561053029e-01 2.346924389137e+01 2.387751903539e+00
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16.5 8.989923689458e-01 8.989924042202e-01 2.310100759190e+01 2.896119155488e+00
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16.8333 1.451577886835e+00 1.451577932770e+00 2.254842206287e+01 3.451283515307e+00
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17.1667 2.233968006579e+00 2.233968062628e+00 2.176603193265e+01 4.041046701779e+00
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17.5 3.276605594066e+00 3.276605658494e+00 2.072339433662e+01 4.649079665440e+00
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17.8333 4.580028376255e+00 4.580028446843e+00 1.941997154838e+01 5.255447192257e+00
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18.1667 6.101260773083e+00 6.101260848194e+00 1.789873914745e+01 5.837547513139e+00
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18.5 7.746551133353e+00 7.746551212710e+00 1.625344878367e+01 6.371424480930e+00
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18.8333 9.375127722697e+00 9.375127807245e+00 1.462487219010e+01 6.833356874099e+00
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19.1667 1.081617088116e+01 1.081617097194e+01 1.318382902643e+01 7.201583440760e+00
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19.5 1.189712387179e+01 1.189712396854e+01 1.210287603070e+01 7.457991576114e+00
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19.8333 1.247719247117e+01 1.247719257163e+01 1.152280742810e+01 7.589588377801e+00
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dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
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-99 25.000 0.0000e+00 0.0000e+00 0.0000e+00
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