File name: Pandora159s1_Wakkerstroom_20200817_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T163031.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v6d20191220.txt Level 1 file used: Pandora159s1_Wakkerstroom_20200817_L1_smca1c6d20191220p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20200817 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Update session 4 based on session2 for SO2 First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0490 305.1898 305.3306 305.4713 305.6121 305.7529 305.8936 306.0343 306.1750 306.3157 306.4564 306.5971 306.7378 306.8785 307.0191 307.1597 307.3004 307.4410 307.5816 307.7222 307.8628 308.0033 308.1439 308.2845 308.4250 308.5655 308.7060 308.8465 308.9870 309.1275 309.2680 309.4084 309.5489 309.6893 309.8297 309.9701 310.1105 310.2509 310.3913 310.5317 310.6720 310.8124 310.9527 311.0930 311.2333 311.3736 311.5139 311.6542 311.7944 311.9347 312.0749 312.2152 312.3554 312.4956 312.6358 312.7760 312.9161 313.0563 313.1964 313.3366 313.4767 313.6168 313.7569 313.8970 314.0371 314.1771 314.3172 314.4572 314.5973 314.7373 314.8773 315.0173 315.1573 315.2973 315.4372 315.5772 315.7171 315.8570 315.9969 316.1369 316.2767 316.4166 316.5565 316.6964 316.8362 316.9760 317.1159 317.2557 317.3955 317.5352 317.6750 317.8148 317.9545 318.0943 318.2340 318.3737 318.5134 318.6531 318.7928 318.9325 319.0721 319.2118 319.3514 319.4910 319.6307 319.7703 319.9098 320.0494 320.1890 320.3285 320.4681 320.6076 320.7471 320.8866 321.0261 321.1656 321.3051 321.4445 321.5840 321.7234 321.8628 322.0023 322.1417 322.2810 322.4204 322.5598 322.6991 322.8385 322.9778 323.1171 323.2564 323.3957 323.5350 323.6743 323.8135 323.9528 324.0920 324.2312 324.3704 324.5096 324.6488 324.7880 324.9272 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20200817T105521.0Z 7534.455104 254 1 51.90 2 42.45 341.09 60.53 323.01 0.00 1 0.00 1 0 17 1.021e-02 7.176e-03 1.743e-03 8.907e-04 1.633525e-01 4.454280e-04 1.780258e-03 -6.000000e+00 5.788535e-03 226.45 -2.00 3.06 -2.00 316.14 0.00e+00 2.005021e-06 4.730322e-05 2.773579e-05 -6.000000e+00 2.508341e-04 276.68 -2.00 20.00 -2.00 315.54 0.00e+00 1.354 0.000 302.00 328.00 3 3.3702e+00 1.1568e-03 1.3244e-02 -6.0000e+00 1.4371e-02 1.4851e-02 1.2923e-03 7.3838e-03 -6.0000e+00 1.5627e-02 7.3712e-03 7.4623e-04 3.6506e-03 -6.0000e+00 9.2861e-03 -4.8403e-03 3.4412e-04 1.0343e-03 -6.0000e+00 3.9483e-03 5.1815e-03 -1.2950e-04 2.5441e-05 1.3021e-05 -6.0000e+00 2.7272e-04 1.0696e-03 0.0000e+00 11 8 0 10 0 0 99.99 18.06 0.21 0.00107 0.00010 617 133 1 8 0 79.840 15.01 18.06 15.29 20.67 20.67 11.2 899.07 -1008 -1865 -2646 -3705 -723 847 1371 2876 703 -346 -567 1574 169 893 636 -1095 -69 -84 125 420 -153 535 1505 353 776 292 -809 -345 1251 2818 2278 2536 1834 -1207 -751 1182 -106 370 69 -1273 -1746 -1079 -1097 -1409 -493 -1387 -953 -677 -803 366 948 485 839 836 392 1137 576 528 728 1034 1580 1334 970 524 -945 -131 312 662 1910 398 -215 -288 -343 -33 -225 363 789 1015 1691 214 -530 -948 -2053 -722 -971 -1028 -753 -667 -436 -471 319 235 886 1826 1476 712 803 349 -731 -750 -208 -293 676 891 -698 -773 -617 -652 -126 4 -239 -284 -156 86 249 961 782 601 293 -433 -742 -240 -124 -61 942 606 1008 1828 702 433 146 -110 117 463 -118 -309 -121 123 -588 -233 -190 -385 -67 -226 -455 -657 -865 -145 155 259 598 166 -86 -138 372 44 256 204 -384 -25 -30 46 159 -59 204 571 141 324 127 -351 -140 459 969 802 942 730 -505 -293 433 -42 169 38 -820 -1232 -788 -818 -1061 -365 -1029 -685 -466 -532 236 626 342 618 642 309 905 468 428 578 810 1263 1137 893 511 -931 -118 251 504 1497 357 -213 -300 -359 -33 -214 310 599 711 1193 169 -473 -930 -2168 -785 -1127 -1178 -912 -837 -549 -574 392 261 880 1692 1416 750 929 447 -922 -939 -265 -343 743 1004 -869 -1026 -853 -938 -172 6 -359 -430 -226 126 331 1175 941 754 394 -634 -1133 -364 -183 -87 1253 768 1198 2116 863 568 200 -154 165 671 -182 -503 -202 210 -939 -398 -314 -618 -104 SS 20200817T110032.6Z 7534.458710 256 1 53.10 2 42.84 339.32 61.20 321.92 0.00 1 0.00 1 0 17 9.849e-03 7.133e-03 4.774e-04 2.593e-04 1.652519e-01 1.291667e-04 1.797787e-03 -6.000000e+00 5.581174e-03 226.45 -2.00 3.06 -2.00 315.98 0.00e+00 8.003415e-05 1.324867e-05 2.623014e-05 -6.000000e+00 2.418509e-04 276.68 -2.00 20.00 -2.00 315.38 0.00e+00 1.362 0.000 302.00 328.00 3 1.2945e+00 3.3415e-04 1.3336e-02 -6.0000e+00 1.3856e-02 6.0587e-03 3.7406e-04 7.4445e-03 -6.0000e+00 1.5068e-02 3.9726e-03 2.1461e-04 3.6849e-03 -6.0000e+00 8.9535e-03 -3.4716e-03 9.8295e-05 1.0450e-03 -6.0000e+00 3.8068e-03 4.1026e-02 -1.4704e-04 7.3369e-06 1.3056e-05 -6.0000e+00 2.6295e-04 1.1473e-03 0.0000e+00 11 8 0 10 0 0 99.99 18.07 0.25 0.00115 0.00004 2724 586 2 8 0 17.990 15.01 18.07 15.69 20.67 20.67 11.2 901.25 -997 -2038 -2359 -3766 -1115 446 1099 1956 1040 -621 -542 1636 375 522 380 -965 -275 72 98 550 -65 697 1675 569 734 125 -683 -350 1247 2317 2241 2307 1741 -1392 -777 1036 -313 587 -90 -1277 -1762 -1100 -1171 -1351 -590 -1152 -967 -540 -699 434 970 494 940 659 481 1108 597 439 759 1076 1505 1244 932 631 -929 17 321 683 1904 469 -224 -323 -428 -134 -300 322 755 942 1635 -145 -617 -1054 -2035 -879 -980 -1012 -637 -612 -422 -446 212 328 695 1833 1469 788 752 402 -711 -665 -270 -310 698 921 -736 -773 -481 -708 -117 17 -209 -252 -133 122 251 1051 776 639 302 -452 -790 -243 -155 -30 850 530 917 1745 688 318 239 -118 114 387 -126 -332 -124 46 -533 -242 -166 -383 -102 -241 -537 -629 -949 -241 88 224 442 264 -167 -142 416 104 162 132 -365 -106 28 39 226 -27 287 686 245 332 59 -321 -153 495 868 856 932 753 -634 -329 413 -135 291 -49 -812 -1229 -794 -864 -1005 -432 -844 -689 -368 -458 277 635 345 687 503 377 876 481 354 598 838 1195 1055 854 612 -910 15 257 518 1488 419 -221 -336 -447 -136 -285 274 572 726 1268 -116 -550 -1036 -2151 -958 -1140 -1266 -772 -768 -531 -545 261 366 694 1705 1416 832 875 516 -901 -913 -347 -366 772 1044 -924 -1032 -668 -940 -161 25 -317 -385 -195 181 336 1297 944 809 412 -669 -1118 -342 -232 -43 1144 681 1105 2048 857 423 333 -167 163 569 -197 -502 -194 74 -864 -385 -256 -624 -161 SS 20200817T110621.2Z 7534.462745 259 1 2.37 2 43.31 337.37 61.98 320.73 0.00 1 0.00 1 0 17 9.667e-03 7.770e-03 8.764e-04 6.264e-04 1.678183e-01 3.186875e-04 1.835180e-03 -6.000000e+00 5.478264e-03 226.45 -2.00 3.06 -2.00 314.69 0.00e+00 1.442503e-04 2.544024e-05 2.780318e-05 -6.000000e+00 2.373920e-04 276.68 -2.00 20.00 -2.00 314.21 0.00e+00 1.373 0.000 302.00 328.00 3 6.9235e-01 8.1373e-04 1.3468e-02 -6.0000e+00 1.3601e-02 5.6805e-03 9.0394e-04 7.5418e-03 -6.0000e+00 1.4790e-02 -2.2605e-04 5.1802e-04 3.7379e-03 -6.0000e+00 8.7884e-03 -1.0133e-03 2.2797e-04 1.0699e-03 -6.0000e+00 3.7366e-03 7.3978e-02 -2.5568e-04 1.7373e-05 1.4148e-05 -6.0000e+00 2.5811e-04 1.1692e-03 0.0000e+00 12 9 1 12 1 1 99.87 18.07 0.27 0.00117 -0.00075 81 419 2 8 0 25.240 15.01 18.07 16.10 20.67 20.67 11.2 903.06 -1075 -1984 -2074 -3399 -840 231 1317 1789 1355 -740 -439 1565 342 388 631 -973 -227 72 308 795 -209 864 1647 777 711 181 -693 -339 1024 2231 2007 2259 1764 -1399 -589 929 -273 296 -22 -1410 -1859 -1214 -1213 -1360 -721 -1088 -1080 -606 -673 513 959 491 875 600 301 994 470 343 770 936 1440 1012 763 557 -838 -95 291 599 1740 265 -338 -415 -553 -143 -352 411 750 1003 1556 -55 -612 -1070 -2057 -959 -1016 -1116 -760 -728 -486 -517 208 190 743 1919 1485 688 750 341 -794 -603 -260 -269 696 888 -802 -745 -613 -823 -256 -76 -247 -351 -180 147 400 1076 875 643 308 -503 -780 -193 -77 67 865 510 1048 1760 669 425 224 -72 114 473 -177 -324 -184 -84 -529 -402 -226 -397 -202 -381 -766 -809 -1253 -287 73 423 639 502 -292 -169 584 139 177 299 -505 -120 39 158 418 -113 457 868 430 414 109 -418 -191 559 1147 1055 1255 982 -822 -321 509 -151 189 -15 -1072 -1549 -995 -1016 -1148 -601 -904 -874 -493 -528 391 751 410 727 521 269 895 432 315 690 830 1302 931 759 560 -849 -92 266 518 1553 257 -347 -427 -573 -150 -347 380 648 843 1318 -50 -594 -1092 -2160 -1039 -1174 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