File name: Pandora159s1_Wakkerstroom_20200705_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T160419.5Z 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_20200705_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: 20200705 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 --------------------------------------------------------------------------------------- SU 20200705T051645.5Z 7491.219971 24 1 48.94 2 85.54 61.52 94.35 240.67 0.00 1 0.00 1 0 25 6.703e-01 3.581e-02 5.291e-01 3.129e-02 9.934948e-01 1.882206e-02 9.518709e-03 -6.000000e+00 3.850755e-01 225.22 -2.00 3.06 -2.00 322.53 0.00e+00 8.145393e-03 1.031889e-02 2.248586e-03 -6.000000e+00 1.784063e-02 276.94 -2.00 20.00 -2.00 322.12 0.00e+00 10.720 0.007 302.00 328.00 3 1.4352e-01 7.3183e-02 9.8811e-02 -6.0000e+00 9.5647e-01 1.5110e+00 9.2145e-02 4.8255e-02 -6.0000e+00 1.0450e+00 -1.8853e+00 7.3810e-02 2.6244e-02 -6.0000e+00 6.1622e-01 7.2821e-01 3.7118e-02 9.1601e-03 -6.0000e+00 2.6444e-01 2.6569e-05 -2.2485e-03 8.7650e-04 1.4454e-04 -6.0000e+00 1.8837e-02 3.9319e-03 0.0000e+00 12 8 8 10 0 0 45.03 16.38 0.61 0.00393 -0.01296 41 9 4 8 0 1193.390 15.02 16.38 -2.03 19.33 19.33 11.8 811.26 -5506 900000 900000 -31352 187509 900000 -131809 900000 -48675 -5572 -142792 20066 900000 -64844 -61147 13428 -18269 -26011 900000 -1602 900000 -88814 51725 -18052 229843 226659 220770 51513 900000 -34523 900000 184696 11291 133609 -30352 900000 -33826 127049 900000 -77214 8180 237234 128757 196982 73908 3551 73566 168656 151613 36102 11481 10450 128559 -13888 88354 27524 71596 27216 6183 48509 58508 45032 23387 1974 6420 29611 47953 -563 15286 49618 38143 14044 9344 8599 45479 34827 53308 1817 23149 7896 8031 18618 961 20311 1184 17788 2490 394 -1051 -3448 -16626 897 4941 -3179 1554 5259 -867 -1342 252 68 -4523 -4385 1921 -4505 -11534 -13198 -3570 -9202 -1623 -2515 -2324 1017 -3199 552 -2540 2501 1 1721 -2166 2083 4033 3431 3046 1565 4354 -1682 3137 2949 4976 -1961 1347 69 2207 -850 -1932 225 485 400 -245 -475 -767 -116 -730 -168 900000 900000 -955 5709 900000 -6932 900000 -1482 -170 -7510 611 900000 -2692 -3047 409 -759 -1224 900000 -58 900000 -6392 1575 -600 6998 6901 6722 1568 900000 -1147 900000 5624 406 4068 -1596 900000 -1685 3868 900000 -8763 430 7223 3920 5998 2250 197 2240 5135 4616 1699 763 781 3914 -1538 3668 2133 3567 2034 531 2551 2753 2618 1942 235 800 2951 3982 -79 2031 5356 5068 2449 1655 1404 4532 3374 4382 236 2819 1377 1689 4123 285 5285 393 5269 896 148 -398 -1289 -6627 283 1477 -1100 598 2358 -497 -914 191 53 -3531 -3034 1095 -2631 -7662 -9498 -2471 -7336 -1357 -2493 -2683 1267 -4366 729 -3368 3067 1 2253 -3124 2981 5526 4454 3769 1915 5050 -2020 3499 3478 6763 -3409 2599 149 5033 -2163 -5368 649 1422 1184 -729 -1353 -2018 -278 -1649 SU 20200705T053020.7Z 7491.229406 27 1 49.31 2 82.91 59.81 96.86 239.05 0.00 1 0.00 1 0 25 6.365e-01 7.395e-03 3.053e-01 3.596e-03 7.956362e-01 2.008330e-03 7.597206e-03 -6.000000e+00 3.589940e-01 225.22 -2.00 3.06 -2.00 321.89 0.00e+00 5.451750e-03 1.089227e-03 3.466620e-03 -6.000000e+00 1.564749e-02 276.94 -2.00 20.00 -2.00 321.44 0.00e+00 7.472 0.002 302.00 328.00 3 1.6402e-02 7.3759e-03 7.5109e-02 -6.0000e+00 8.8869e-01 1.4086e-01 1.1659e-02 5.1620e-02 -6.0000e+00 9.6726e-01 -1.2452e-01 1.3493e-02 2.2844e-02 -6.0000e+00 5.7539e-01 3.8545e-02 6.1713e-03 9.6177e-03 -6.0000e+00 2.4527e-01 5.4519e-04 -1.0683e-03 1.0046e-04 9.1621e-05 -6.0000e+00 1.6991e-02 2.7299e-03 0.0000e+00 11 8 0 10 0 0 8.31 17.30 0.25 0.00273 -0.00530 237 51 2 8 0 208.040 15.02 17.30 0.20 20.04 20.04 11.2 821.54 -320340 -170205 49173 -59708 -255899 -188585 -214783 -131918 -213090 -228026 -170599 -130146 -81125 -169436 61190 -116736 -64009 -98546 16427 -57560 -85232 -70112 -74524 -27290 -71463 -36807 -53968 -61894 6665 287 -38430 15633 -4136 4214 -8348 -18274 -6455 -25756 -2852 -7875 2620 4342 -434 -5904 4233 4526 -801 8452 -1664 3343 6548 6977 7006 9093 1898 6141 334 1581 6422 1583 215 2934 6168 3801 4028 3778 4134 3380 3980 1662 1707 142 695 2009 -86 1547 -1131 -491 1210 -382 -188 -516 -1598 -888 -1312 -2036 -1194 -723 -469 -106 1095 -512 -2 1043 1204 358 1025 305 -663 -300 -47 -236 1381 869 -1617 -1391 -1349 -688 -505 -38 -682 -553 -5 378 184 735 924 439 -42 -448 -391 -39 -77 -33 541 238 1032 1752 190 130 98 -149 198 398 -370 -351 -7 219 -419 -251 220 -153 282 -2961 -597 172 -209 -1631 -661 -1054 -463 -1345 -1839 -837 -502 -284 -1782 215 -1228 -471 -1175 69 -545 -1106 -787 -915 -230 -1027 -400 -719 -890 49 3 -620 186 -73 75 -167 -397 -136 -714 -78 -276 95 170 -19 -286 190 211 -41 420 -99 207 445 540 607 852 206 671 40 188 706 179 25 372 881 645 745 706 769 664 865 430 493 44 212 568 -23 357 -250 -111 306 -119 -70 -224 -717 -423 -668 -1112 -681 -423 -274 -60 622 -278 -1 562 736 239 801 279 -682 -314 -46 -207 1067 722 -1347 -1229 -1254 -684 -554 -48 -971 -853 -7 580 270 1029 1291 643 -65 -729 -627 -60 -112 -46 731 312 1294 2265 286 226 191 -316 442 947 -953 -956 -19 614 -1184 -681 554 -359 629 SU 20200705T053610.9Z 7491.233460 30 1 49.86 2 81.79 59.05 97.92 238.34 0.00 1 0.00 1 0 25 4.237e-01 6.005e-03 1.682e-01 2.053e-03 7.120428e-01 1.110813e-03 6.889651e-03 -6.000000e+00 2.389977e-01 225.22 -2.00 3.06 -2.00 321.53 0.00e+00 3.569698e-03 5.571301e-04 2.237863e-03 -6.000000e+00 1.041701e-02 276.94 -2.00 20.00 -2.00 321.06 0.00e+00 6.587 0.002 302.00 328.00 3 -3.2650e-02 3.8287e-03 6.4376e-02 -6.0000e+00 5.9164e-01 7.0994e-02 5.7514e-03 3.9813e-02 -6.0000e+00 6.4394e-01 -3.7890e-02 6.5022e-03 1.8907e-02 -6.0000e+00 3.8306e-01 2.6157e-03 3.0452e-03 7.5733e-03 -6.0000e+00 1.6329e-01 1.2385e-03 -8.2613e-04 5.7244e-05 7.0160e-05 -6.0000e+00 1.1311e-02 2.5817e-03 0.0000e+00 10 0 0 10 0 0 22.31 17.53 0.26 0.00258 -0.00363 372 80 2 8 0 132.590 15.02 17.53 1.25 20.25 20.25 11.4 828.58 -180539 -134638 -134644 -155166 -153315 -101953 -174842 -93170 -115197 -131825 -91903 -89589 -51305 -69867 -59634 -80219 -9893 -50048 -45412 -20838 -3050 -2095 -35832 -28990 -23936 -31564 -38375 3328 -41306 -11222 -25614 -866 -7393 -6127 -9766 -9802 -8188 -6162 -2857 -8962 -751 -5479 -1735 -3216 3250 2010 68 1678 4215 3214 2947 1960 1921 4321 362 3923 321 800 756 789 2148 2893 2812 2428 999 1645 3578 541 4292 810 834 -688 -639 -81 -945 157 436 1090 863 496 -614 -836 -2105 -1150 -1059 -562 -754 -446 -450 -58 857 517 1125 1127 1183 218 1004 589 -458 -213 -70 -64 876 858 -1448 -1251 -1136 -599 -558 -1 -375 -258 -28 265 407 1065 869 516 62 -877 -710 -215 89 -222 406 154 807 1533 245 30 142 96 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