File name: Pandora75s1_EssexMD_20241217_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241218T052056.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241217_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241217 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20241217T164701.4Z 9117.699321 424 1 51.93 2 62.80 176.04 107.51 325.39 0.00 1 0.00 1 0 17 2.623e-02 9.359e-03 5.643e-03 1.903e-03 2.739206e-01 9.991567e-04 3.319628e-03 -6.000000e+00 1.565540e-02 223.16 -2.00 3.48 -2.00 317.13 0.00e+00 7.610708e-04 1.385042e-04 2.524919e-04 -6.000000e+00 6.849576e-04 278.32 -2.00 20.00 -2.00 316.52 0.00e+00 2.176 0.000 302.00 328.00 3 4.8088e+00 2.5985e-03 2.5606e-02 -6.0000e+00 3.8520e-02 3.8100e-02 2.9043e-03 1.3725e-02 -6.0000e+00 4.1725e-02 -9.4924e-03 1.7475e-03 6.8541e-03 -6.0000e+00 2.4888e-02 -4.2799e-03 8.6226e-04 1.9972e-03 -6.0000e+00 1.0688e-02 3.5171e-04 -1.4808e-03 6.0270e-05 2.6005e-05 -6.0000e+00 8.0645e-04 -3.1366e-02 1.3073e-04 12 8 8 10 0 0 99.91 23.68 0.79 -0.03137 -0.04249 22 4 1 5 0 2360.130 26.41 20.00 23.68 22.82 5.7 979.95 -18023 411 -549 742 -9610 -5197 -2433 -4705 -8616 -5437 -7923 -5396 -1147 5492 -2216 1997 -232 -944 4437 805 3602 4088 2730 1032 -462 569 4174 1479 354 263 543 -1050 -96 -1807 -2347 -872 -5285 -2421 -530 -1582 -171 282 -433 -311 622 735 393 -537 183 693 160 656 1702 1992 135 999 515 471 808 -512 389 1455 2084 1372 563 -370 -1057 -1027 884 2072 664 947 293 -501 380 -275 -2248 -2672 -1941 -2364 -1434 -3089 -1549 -957 -788 -488 580 1106 765 1188 14 -350 -332 -1483 -1081 318 761 894 635 196 -1058 -1265 -746 -830 -814 -1318 -307 220 430 1093 1189 479 89 -45 -466 18 -269 40 681 384 318 836 1037 371 693 -514 -19 -434 35 -4 -150 -733 -13 4 -109 197 217 697 -12 25 -617 -996 -2318 49 -69 89 -1166 -569 -266 -575 -1210 -789 -1201 -820 -184 943 -470 452 -57 -245 1137 201 982 1111 766 280 -134 169 1200 419 105 77 165 -319 -31 -615 -777 -280 -1901 -971 -247 -795 -93 163 -260 -189 375 441 233 -315 105 400 97 423 1151 1415 93 701 368 336 567 -363 282 1112 1711 1200 497 -311 -842 -803 715 1836 604 899 280 -465 350 -232 -1765 -2022 -1520 -2067 -1291 -3116 -1650 -1071 -878 -578 714 1396 969 1442 16 -395 -348 -1534 -1171 348 922 1114 833 254 -1315 -1564 -878 -1003 -1051 -1697 -411 307 634 1598 1818 744 134 -63 -650 24 -355 55 987 554 468 1212 1552 536 948 -680 -26 -598 48 -6 -230 -1097 -19 6 -183 326 369 1202 -20 42 -1016 -1688 SS 20241217T165220.8Z 9117.703019 427 1 51.66 2 62.74 177.42 108.07 326.44 0.00 1 0.00 1 0 17 1.929e-02 7.526e-03 8.993e-03 2.065e-03 2.733135e-01 1.079752e-03 3.344993e-03 -6.000000e+00 1.151340e-02 223.16 -2.00 3.48 -2.00 317.98 0.00e+00 1.152700e-03 1.846431e-04 4.777285e-04 -6.000000e+00 5.037119e-04 278.32 -2.00 20.00 -2.00 317.35 0.00e+00 2.172 0.000 302.00 328.00 3 4.2905e+00 2.8570e-03 2.5626e-02 -6.0000e+00 2.8329e-02 3.4350e-02 3.2233e-03 1.3851e-02 -6.0000e+00 3.0685e-02 -5.9300e-03 2.0484e-03 6.9823e-03 -6.0000e+00 1.8303e-02 -9.4845e-03 1.0418e-03 2.1012e-03 -6.0000e+00 7.8610e-03 5.9424e-04 -1.2793e-03 6.6952e-05 2.7115e-05 -6.0000e+00 5.9304e-04 -3.1619e-02 1.3898e-04 11 9 0 11 24 0 99.93 23.70 0.41 -0.03162 -0.04123 31 5 1 5 0 1666.460 26.41 20.01 23.70 23.14 5.7 983.46 -4628 1915 -2951 -3333 -2704 1314 -8599 -7830 -3496 -5901 -305 -9163 -4455 -2843 -492 37 2787 236 -883 1705 1013 2373 577 -792 2365 1388 -469 -1462 -666 -1254 201 -581 2544 -564 -2501 -3035 -3273 -3454 -915 -201 -606 -842 -524 619 -3 1064 -394 -538 -256 -792 -13 448 1521 905 1528 712 488 433 55 57 868 1857 2194 2116 724 28 -487 -193 122 1794 717 894 841 897 233 -938 -1286 -2327 -1789 -1769 -1505 -1568 -2064 -1691 -1063 -63 361 509 777 995 -218 -115 -859 -351 -681 -518 708 595 464 -140 -1051 -1422 -968 -687 -854 -1121 -798 -73 320 1061 847 750 102 -96 -442 88 -94 233 645 96 428 555 749 452 147 193 4 137 -414 12 -435 -347 -361 43 32 211 363 523 144 -257 -192 -940 -321 139 -234 -257 -208 92 -680 -672 -317 -583 -29 -981 -502 -362 -70 6 457 42 -164 318 195 451 114 -165 501 307 -106 -321 -137 -255 42 -133 607 -144 -629 -756 -876 -1063 -325 -82 -275 -405 -260 308 -2 527 -196 -262 -123 -386 -7 240 856 540 938 451 314 278 35 36 563 1274 1622 1656 575 21 -347 -135 89 1438 633 749 706 797 194 -716 -901 -1583 -1262 -1388 -1318 -1514 -1952 -1685 -1124 -70 422 611 930 1145 -236 -114 -877 -349 -714 -542 814 751 616 -185 -1320 -1668 -1082 -786 -1046 -1456 -1085 -104 478 1668 1397 1249 164 -146 -624 117 -126 323 948 150 678 869 1139 662 205 257 5 180 -577 18 -678 -559 -597 75 57 400 647 948 261 -500 -360 -1726 SS 20241217T165749.9Z 9117.706828 430 1 51.64 2 62.71 178.83 108.63 327.54 0.00 1 0.00 1 0 17 2.495e-02 9.228e-03 4.978e-03 1.726e-03 2.738535e-01 9.053031e-04 3.310497e-03 -6.000000e+00 1.489655e-02 223.16 -2.00 3.48 -2.00 317.03 0.00e+00 8.264928e-04 1.224712e-04 2.946055e-04 -6.000000e+00 6.515259e-04 278.32 -2.00 20.00 -2.00 316.41 0.00e+00 2.169 0.000 302.00 328.00 3 4.6596e+00 2.3518e-03 2.5529e-02 -6.0000e+00 3.6654e-02 3.5542e-02 2.6314e-03 1.3682e-02 -6.0000e+00 3.9696e-02 -8.4049e-03 1.5841e-03 6.8364e-03 -6.0000e+00 2.3677e-02 -4.7945e-03 7.7731e-04 2.0042e-03 -6.0000e+00 1.0174e-02 4.1120e-04 -8.5577e-04 5.4568e-05 2.5758e-05 -6.0000e+00 7.6687e-04 -3.2722e-02 2.2985e-04 11 9 0 11 8 0 96.79 23.71 0.53 -0.03272 -0.03915 22 4 1 5 0 2347.170 26.41 20.00 23.71 23.72 5.7 987.06 -15311 466 -4588 1848 -12035 -3317 -2587 -2982 -7661 -4523 -7975 -5010 -1430 -1990 -201 603 59 -751 5506 1810 4834 4158 2200 1943 1237 1855 2321 615 -1257 -941 1206 -1025 654 -737 -2070 -985 -5196 -2433 -1080 -1144 -623 -506 -83 812 566 737 387 -400 -673 649 202 1028 2127 2464 32 715 764 860 -184 -146 908 1984 1558 1455 450 -864 -523 -596 796 1793 1134 987 825 -398 445 -864 -2238 -2569 -2082 -2124 -1608 -3103 -1497 -1213 -363 -459 497 700 656 1175 -16 -349 -556 -1327 -1027 -545 471 866 400 -62 -1199 -1441 -162 -541 -796 -1093 -324 107 605 1175 675 663 279 115 -319 -40 -121 175 724 447 470 908 988 474 600 -311 -139 -418 429 -101 -328 -696 -90 22 -167 184 625 196 62 -135 -611 -1001 -1992 58 -624 228 -1560 -371 -295 -373 -1109 -677 -1259 -789 -239 -383 -44 144 14 -184 1324 467 1235 1071 588 545 367 566 709 183 -360 -264 347 -325 219 -259 -714 -331 -1950 -1019 -484 -597 -358 -307 -52 509 356 462 240 -245 -408 392 128 638 1383 1682 23 526 570 639 -137 -108 684 1578 1249 1235 386 -709 -434 -486 674 1548 1075 980 821 -386 399 -711 -1840 -2033 -1709 -1801 -1519 -3059 -1558 -1331 -422 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