File name: Pandora177s1_WestportCT_20230913_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20230915T111842.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20230913_L1_smca1c3d20221101p1-8.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: 20230913 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20230913T154025.5Z 8656.653073 245 1 7.95 2 40.47 152.92 28.48 171.02 0.00 1 0.00 1 0 17 2.262e-02 1.465e-02 1.488e-02 8.345e-03 1.780384e-01 4.396838e-03 2.102259e-03 -6.000000e+00 1.353707e-02 229.41 -2.00 3.51 -2.00 315.82 0.00e+00 1.118193e-03 4.561288e-04 1.787282e-04 -6.000000e+00 6.106031e-04 287.96 -2.00 20.00 -2.00 315.05 0.00e+00 1.313 0.000 302.00 328.00 3 5.8509e+00 1.1399e-02 1.5951e-02 -6.0000e+00 3.3663e-02 7.4075e-02 1.2728e-02 8.9981e-03 -6.0000e+00 3.6505e-02 -1.1702e-02 7.2703e-03 4.3389e-03 -6.0000e+00 2.1800e-02 -4.0029e-03 3.2082e-03 1.2480e-03 -6.0000e+00 9.0647e-03 3.3744e-04 6.4195e-05 2.6419e-04 1.5799e-05 -6.0000e+00 6.8720e-04 5.6691e-02 -1.0394e-04 12 9 9 12 1 1 999.00 22.99 1.04 0.05669 0.05717 1 3 1 5 0 3971.100 26.32 20.00 22.99 29.13 22.2 1039.02 3811 1589 -4323 -3254 -13106 -4169 -1889 1291 -4475 -2308 -1467 2895 1852 -1152 4222 2328 -1215 -127 1179 3381 4910 1553 -787 1578 2715 1026 -4658 750 1730 -936 599 3329 -80 -1122 -4523 -6736 -3775 -982 -702 103 -1161 591 -90 -109 1374 1819 252 -151 -657 -1075 891 663 -378 -1258 175 1298 728 -1984 78 -219 2242 3160 2796 4565 -1730 -577 -2548 -76 2289 898 3187 209 1687 692 -668 -2870 -3006 -4364 -1354 -2340 -1800 -1909 -2256 -1654 -1346 1340 1248 515 1029 2779 1005 -776 -1842 -1138 -132 -1373 172 1139 620 -470 -2452 -592 -774 -1141 -1870 -1344 -764 -226 1057 1998 1021 635 -46 647 1034 -582 -317 -566 1229 476 650 725 127 422 932 266 -91 456 -916 -1457 -272 -1018 -427 -807 814 304 1143 1680 1358 -710 192 -1362 -1853 903 405 -1146 -788 -3180 -889 -416 305 -1204 -616 -385 749 531 -383 1464 871 -485 -51 483 1386 1998 650 -341 693 1229 477 -2217 319 687 -373 244 1404 -37 -509 -2034 -3094 -1847 -548 -430 70 -859 446 -69 -85 1045 1358 186 -108 -459 -756 640 504 -304 -1052 147 1096 621 -1724 66 -186 1934 2723 2570 4233 -1656 -503 -2216 -64 2020 837 3110 217 1704 677 -613 -2574 -2459 -3495 -1105 -2132 -1702 -1953 -2452 -1885 -1544 1595 1561 661 1298 3293 1183 -841 -1862 -1124 -136 -1561 211 1412 799 -597 -2961 -693 -894 -1383 -2308 -1744 -1028 -314 1521 2835 1501 926 -65 870 1278 -737 -403 -717 1632 672 936 1030 175 558 1230 335 -111 558 -1198 -1916 -365 -1396 -596 -1179 1230 458 1753 2599 2107 -1104 301 -2106 -2876 SS 20230913T154924.1Z 8656.659307 251 1 20.07 2 39.75 156.21 28.31 175.53 0.00 1 0.00 1 0 17 1.464e-02 1.100e-02 1.135e-03 6.816e-04 1.668609e-01 3.589023e-04 1.977702e-03 -6.000000e+00 8.769684e-03 229.41 -2.00 3.51 -2.00 315.63 0.00e+00 7.841908e-04 3.572528e-05 1.568867e-04 -6.000000e+00 3.951425e-04 287.96 -2.00 20.00 -2.00 314.88 0.00e+00 1.299 0.000 302.00 328.00 3 2.6901e+00 9.2839e-04 1.5511e-02 -6.0000e+00 2.1809e-02 2.7831e-02 1.0369e-03 8.4373e-03 -6.0000e+00 2.3643e-02 -4.2821e-03 5.9123e-04 4.0765e-03 -6.0000e+00 1.4120e-02 -6.9746e-03 2.5727e-04 1.1425e-03 -6.0000e+00 5.8765e-03 8.4093e-03 1.0628e-03 2.1382e-05 1.5499e-05 -6.0000e+00 4.4478e-04 5.4511e-02 4.3181e-05 12 9 9 12 1 1 99.99 22.97 0.35 0.05451 0.06250 144 81 1 5 0 138.320 26.32 20.02 22.97 29.32 22.3 1040.69 2399 619 -296 -3460 -3583 -1876 -77 1153 -802 -3396 -4232 -2212 -487 482 700 -3 69 1525 1690 2024 897 856 1709 2205 1788 794 -685 -871 -403 37 1839 1620 481 -3651 -5263 -4075 -3120 -890 -162 -774 -714 -209 258 -89 639 267 -354 -574 -800 149 1137 928 1051 862 330 1169 375 -284 -237 461 1561 2298 2484 1729 -221 -1265 -1043 -349 2248 1414 596 1107 926 1023 -69 -1302 -2179 -2559 -1507 -2070 -2549 -2703 -2886 -1543 -319 165 976 1064 1394 1179 448 -455 -1033 -22 -172 -90 476 939 84 -801 -1483 -1771 -660 -392 -1790 -1877 -1040 -797 683 1335 1278 849 598 160 -51 6 278 229 842 268 491 549 962 686 1014 -202 -360 837 174 -369 -870 -1072 -322 161 275 65 542 730 419 -75 -386 -1226 -707 660 182 -86 -961 -905 -448 -19 314 -240 -1057 -1315 -692 -164 163 260 -1 28 625 709 867 392 373 746 997 847 384 -325 -391 -169 15 761 714 223 -1744 -2449 -1873 -1560 -510 -108 -534 -528 -159 199 -69 492 204 -263 -413 -561 104 815 704 834 706 278 990 322 -244 -201 391 1364 2127 2250 1619 -204 -1180 -896 -295 1989 1392 586 1114 926 982 -67 -1161 -1784 -2029 -1240 -1892 -2586 -2740 -3104 -1728 -377 192 1184 1315 1698 1483 525 -487 -1025 -23 -175 -100 575 1128 105 -989 -1851 -2076 -756 -469 -2319 -2390 -1370 -1089 963 1958 1924 1267 849 210 -67 7 350 303 1098 372 694 767 1296 887 1342 -257 -442 1026 227 -509 -1154 -1447 -441 229 411 102 811 1106 637 -113 -604 -1880 -1078 SS 20230913T161410.0Z 8656.676505 263 1 27.44 2 38.23 165.74 28.54 188.02 0.00 1 0.00 1 0 17 1.579e-02 1.130e-02 4.367e-03 2.383e-03 1.662747e-01 1.248144e-03 1.997085e-03 -6.000000e+00 9.455229e-03 229.41 -2.00 3.51 -2.00 316.00 0.00e+00 7.347267e-04 1.342346e-04 2.031901e-04 -6.000000e+00 4.260200e-04 287.96 -2.00 20.00 -2.00 315.22 0.00e+00 1.272 0.000 302.00 328.00 3 5.0629e+00 3.2385e-03 1.5296e-02 -6.0000e+00 2.3514e-02 5.2789e-02 3.6192e-03 8.4535e-03 -6.0000e+00 2.5491e-02 -3.5221e-03 2.0668e-03 4.0872e-03 -6.0000e+00 1.5224e-02 -8.6914e-03 9.1827e-04 1.1268e-03 -6.0000e+00 6.3362e-03 7.9882e-04 1.2591e-03 7.5563e-05 1.5771e-05 -6.0000e+00 4.7953e-04 5.3966e-02 3.4141e-05 12 9 9 12 9 1 99.99 22.97 0.47 0.05397 0.06343 18 8 1 5 0 1443.720 26.32 20.00 22.97 29.54 22.3 1041.59 2847 -1261 -418 -5386 -684 -2717 881 1989 -1292 -1906 -5401 -2179 -1022 1642 583 1289 -188 1922 1238 1778 1379 768 1353 1162 1986 399 -1924 -1672 -110 933 194 1653 353 -2825 -6117 -4099 -3521 -1029 -27 -821 -87 -666 820 -5 963 96 -345 -625 -1639 535 1155 791 901 1462 194 2017 394 -657 -480 245 1904 2576 2913 1596 -14 -1525 -1237 -899 1869 1794 229 1722 419 1478 -388 -1622 -2149 -2657 -1911 -2229 -2262 -2892 -2468 -1482 -61 9 857 807 1343 1180 293 -577 -1111 246 -95 169 573 788 51 -647 -1112 -2082 -817 -466 -1810 -1717 -1146 -653 983 1555 1376 980 640 423 -44 -551 -34 -132 415 358 609 517 980 632 1121 -268 -599 704 55 -377 -992 -1160 -160 436 217 35 539 486 558 -13 -270 -1325 -473 670 -325 -105 -1306 -144 -560 186 460 -332 -500 -1453 -583 -295 517 204 472 -72 735 489 715 561 313 554 496 878 181 -864 -705 -43 352 76 678 153 -1244 -2665 -1750 -1642 -549 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