File name: Pandora177s1_WestportCT_20230714_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T125420.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230714_L1_smca1c5d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20230714 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: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20230714T141721.8Z 8595.595392 280 1 4.69 2 39.17 107.22 15.11 175.30 0.00 1 0.00 1 0 17 2.108e-02 1.461e-02 1.677e-02 9.095e-03 1.793793e-01 4.871132e-03 2.178189e-03 -6.000000e+00 1.281781e-02 232.93 -2.00 3.51 -2.00 315.89 0.00e+00 8.606218e-04 5.049179e-04 2.545971e-04 -6.000000e+00 5.686818e-04 289.32 -2.00 20.00 -2.00 315.11 0.00e+00 1.289 0.000 302.00 328.00 3 5.6542e+00 1.2712e-02 1.5995e-02 -6.0000e+00 3.2166e-02 4.3497e-02 1.4078e-02 9.2729e-03 -6.0000e+00 3.4599e-02 -8.4823e-03 8.0876e-03 4.4637e-03 -6.0000e+00 2.0603e-02 -5.1103e-03 3.6800e-03 1.2207e-03 -6.0000e+00 8.7780e-03 4.2020e-04 2.1987e-04 2.7782e-04 1.6594e-05 -6.0000e+00 6.2119e-04 5.6808e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.65 0.89 0.00568 0.00733 1 5 1 5 0 2254.850 26.94 20.01 23.65 26.08 21.5 1028.38 -1123 6628 -187 681 -4467 1576 -9400 -1085 3005 -2337 -617 -1368 1037 -473 1870 -3066 -2491 3475 1603 2228 786 2568 3967 2709 -1394 2230 -5000 1056 -3282 -1664 625 3020 -423 -4718 -2545 -4524 -4118 -817 1164 -840 269 974 -253 1978 -447 -281 -1386 -609 -1996 -113 4266 701 -271 195 -466 623 -875 483 70 823 390 1922 3449 3418 1135 -1613 -3348 -1649 2332 2303 171 939 2161 1784 -655 -1940 -2106 -3756 -4313 -1537 -2666 -1585 -1250 -652 45 -205 1318 2120 1327 1511 1744 -2341 -1864 -898 896 544 79 1362 159 -253 -2679 -1728 -1071 -1718 -1138 -1730 -2001 -1036 983 1825 1561 887 1307 419 -112 -506 -388 -218 -235 1987 259 447 1065 723 845 573 -1294 45 -682 396 -827 -1173 -68 242 -241 -298 239 2018 -309 0 -318 -1326 -269 1542 -46 151 -945 303 -2154 -255 730 -606 -155 -358 292 -152 648 -1179 -979 1318 636 901 325 1037 1602 1157 -648 1008 -2347 438 -1339 -655 251 1263 -191 -2185 -1099 -2000 -2008 -455 692 -571 193 720 -192 1474 -340 -210 -1017 -428 -1384 -78 2926 527 -216 159 -391 525 -753 406 59 687 341 1655 3113 3164 1035 -1482 -2894 -1398 2064 2107 171 957 2149 1704 -592 -1709 -1693 -2981 -3649 -1407 -2547 -1617 -1343 -735 54 -246 1634 2651 1648 1785 2018 -2547 -1865 -946 918 613 98 1686 206 -318 -3409 -2036 -1243 -2116 -1400 -2258 -2728 -1454 1419 2743 2269 1278 1881 559 -148 -643 -499 -278 -320 2792 378 640 1462 952 1128 726 -1613 57 -912 553 -1128 -1629 -95 355 -374 -454 373 3130 -490 0 -506 -2073 SS 20230714T152737.2Z 8595.644181 320 1 2.83 2 27.43 128.24 19.88 226.01 0.00 1 0.00 1 0 17 1.671e-02 1.381e-02 4.014e-03 2.817e-03 1.603124e-01 1.532932e-03 1.942270e-03 -6.000000e+00 1.015933e-02 232.93 -2.00 3.51 -2.00 314.83 0.00e+00 7.353984e-04 1.280618e-04 1.465768e-04 -6.000000e+00 4.507207e-04 289.33 -2.00 20.00 -2.00 314.15 0.00e+00 1.126 0.000 302.00 328.00 3 3.8158e+00 3.9576e-03 1.4078e-02 -6.0000e+00 2.5494e-02 3.3803e-02 4.3536e-03 8.2667e-03 -6.0000e+00 2.7423e-02 -8.0303e-03 2.4947e-03 3.9622e-03 -6.0000e+00 1.6329e-02 -6.7262e-03 1.0944e-03 1.0774e-03 -6.0000e+00 6.9577e-03 3.2403e-03 4.9419e-04 8.5525e-05 1.6807e-05 -6.0000e+00 4.9232e-04 5.3454e-03 0.0000e+00 12 9 9 12 1 1 99.41 23.63 0.33 0.00535 0.00906 4 21 1 5 0 531.330 26.94 20.01 23.63 30.94 21.7 1061.19 3727 1379 462 -3256 -2506 -1970 821 1666 -233 -2555 -3990 -1956 -1781 237 594 632 281 2016 2691 2683 173 -578 1586 1703 2913 856 -768 -771 -1707 -423 -209 1185 61 -4309 -5439 -4509 -3450 -1148 -364 -1357 36 -743 248 116 1039 470 -675 -511 -930 260 774 715 1166 826 170 2077 611 -173 -155 461 1866 2337 2675 2001 381 -980 -1775 -1178 1865 2089 1281 1693 1568 1621 110 -857 -3051 -4000 -2761 -2824 -2708 -2827 -2550 -1547 -474 539 1549 1589 1365 1253 37 -846 -2003 -518 -640 -710 984 1443 703 -340 -1476 -2559 -914 -653 -1553 -1906 -892 -406 1167 1630 1393 1093 791 146 -113 -386 -341 -235 766 620 1251 272 1194 641 1079 -504 -1039 471 -239 33 -1135 -1499 -334 -19 420 43 1214 1110 733 -128 -952 -1930 1259 498 164 -1099 -818 -618 267 556 -85 -964 -1502 -742 -739 108 275 308 141 1012 1375 1404 94 -312 850 950 1674 474 -444 -418 -877 -210 -107 636 34 -2490 -3024 -2493 -2091 -752 -261 -1037 29 -622 209 97 863 386 -543 -395 -742 206 601 586 995 728 153 1870 531 -150 -140 418 1651 2201 2666 1949 381 -906 -1610 -1057 1670 2066 1297 1752 1606 1672 106 -793 -2625 -3368 -2428 -2613 -2762 -2956 -2805 -1693 -549 629 1879 1958 1662 1524 42 -914 -2126 -536 -667 -810 1152 1808 872 -412 -1758 -3031 -1059 -758 -1950 -2418 -1167 -549 1556 2264 1984 1534 1048 187 -141 -460 -412 -300 990 847 1732 374 1574 812 1356 -609 -1279 580 -298 44 -1480 -1986 -448 -26 588 64 1809 1610 1067 -192 -1393 -2773 SS 20230714T153231.2Z 8595.647583 324 1 5.00 2 26.72 130.18 20.54 228.47 0.00 1 0.00 1 0 25 1.745e-02 1.413e-02 3.767e-03 2.620e-03 1.571124e-01 1.419238e-03 1.902734e-03 -6.000000e+00 1.060716e-02 232.93 -2.00 3.51 -2.00 314.87 0.00e+00 8.572442e-04 1.191673e-04 1.395879e-04 -6.000000e+00 4.708622e-04 289.33 -2.00 20.00 -2.00 314.19 0.00e+00 1.119 0.000 302.00 328.00 3 4.2556e+00 3.6662e-03 1.3925e-02 -6.0000e+00 2.6618e-02 3.6683e-02 4.0377e-03 8.1304e-03 -6.0000e+00 2.8637e-02 -5.4400e-03 2.3130e-03 3.8814e-03 -6.0000e+00 1.7052e-02 -6.6083e-03 1.0141e-03 1.0688e-03 -6.0000e+00 7.2604e-03 2.1122e-03 7.1835e-04 7.9319e-05 1.5846e-05 -6.0000e+00 5.1445e-04 9.8422e-03 0.0000e+00 12 9 9 12 1 1 99.68 23.63 0.53 0.00984 0.01524 5 14 1 5 0 804.840 26.94 20.01 23.63 31.71 21.7 1066.83 2091 1898 -266 -2997 -3459 -3937 548 1218 -493 -3770 -4034 -2719 -472 561 1464 1055 -165 1918 768 2660 1850 970 780 2249 1563 693 -268 -499 -146 300 1219 1958 609 -3650 -6259 -5835 -4162 -952 -246 -549 -555 461 616 348 1229 246 -191 -1210 -1792 -457 633 364 1558 1156 141 1164 302 -262 -384 538 1157 2813 2822 2678 -132 -1140 -1546 -1381 1720 1644 1503 1675 1162 1502 -280 -1464 -3346 -3573 -2300 -2247 -2611 -2125 -3024 -2142 -545 433 1544 1365 1902 1172 550 -1432 -1670 -402 -935 -10 815 1629 753 -120 -1763 -2579 -1321 -1136 -1566 -1762 -887 -594 1421 1339 1743 1406 671 -131 -498 -641 -212 -4 1084 756 1012 746 1298 910 1031 -725 -891 53 -243 -271 -959 -1335 -493 -34 623 321 914 953 466 31 -854 -2004 728 690 -96 -1015 -1065 -1180 168 413 -182 -1446 -1527 -1047 -195 235 666 505 -82 950 394 1371 966 508 415 1228 894 402 -151 -264 -72 145 605 1025 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