File name: Pandora177s1_WestportCT_20230921_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T143228.4Z 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_20230921_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: 20230921 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 20230921T121141.5Z 8664.508120 79 1 7.06 2 73.66 103.85 144.55 77.88 0.00 1 0.00 1 0 25 1.283e-01 1.426e-02 1.496e-01 8.930e-03 4.178403e-01 4.735899e-03 5.354926e-03 -6.000000e+00 7.686171e-02 228.59 -2.00 3.51 -2.00 319.69 0.00e+00 2.695454e-03 1.411833e-03 2.709156e-03 -6.000000e+00 3.429381e-03 287.09 -2.00 20.00 -2.00 318.95 0.00e+00 3.495 0.001 302.00 328.00 3 3.7700e+00 1.3596e-02 4.2377e-02 -6.0000e+00 1.9099e-01 3.4736e-03 1.6178e-02 2.5774e-02 -6.0000e+00 2.0613e-01 -5.2491e-03 1.2778e-02 1.2619e-02 -6.0000e+00 1.2303e-01 -5.7908e-03 6.6532e-03 3.4053e-03 -6.0000e+00 5.2821e-02 2.3013e-04 3.3833e-04 2.7742e-04 5.3383e-05 -6.0000e+00 3.7767e-03 5.1066e-04 0.0000e+00 12 9 9 12 9 1 99.90 22.87 0.32 0.00051 0.00305 3 6 1 5 0 1763.460 26.21 20.00 22.87 16.22 21.7 954.66 24283 -18907 -46147 23753 -66901 19637 -71899 13069 -40614 -40720 14613 -22596 18566 18326 -463 -26339 15359 -16377 -1206 -14795 11133 17515 -12068 10412 -9344 967 -17687 6866 -8004 -6776 -6198 -12403 13993 -6278 -5632 -7362 -2724 -6685 2956 4766 2437 507 -1394 6006 -4588 2981 -570 2801 -590 -2217 -1765 4708 1983 1157 3560 181 806 -1072 -2538 -2216 -1163 4925 1619 4379 -746 3837 -3367 2626 3268 4249 1604 3133 2198 -1352 3626 -960 561 -3461 -2785 -3471 -2430 -622 -3503 -1512 331 421 802 1253 2208 611 1048 -3503 -2379 -2272 -316 -62 -293 558 1002 -303 -2897 -1092 -417 -1202 -1593 -695 -2660 -238 1742 1140 858 254 306 -1444 -107 928 -229 7 1551 67 1212 1278 1322 884 520 -282 -695 1017 540 -767 -1106 -1273 -468 -665 273 -9 1157 1069 532 247 -600 -1877 299 -397 -1300 316 -2056 251 -2504 221 -1290 -1356 292 -729 475 573 -21 -1713 716 -1124 -75 -1106 656 978 -940 693 -809 78 -1694 499 -668 -587 -600 -1455 1376 -769 -666 -901 -357 -1096 527 957 549 123 -358 1458 -1255 763 -152 726 -161 -647 -556 1517 706 438 1371 75 334 -449 -1064 -933 -511 2235 836 2342 -420 1965 -1783 1350 1853 2526 1055 2084 1450 -876 2173 -546 295 -1918 -1693 -2305 -1812 -503 -3126 -1405 323 414 825 1305 2245 604 1012 -3269 -2097 -2060 -309 -65 -345 714 1337 -399 -3626 -1235 -456 -1382 -1966 -900 -3696 -325 2520 1796 1364 411 504 -2270 -156 1295 -329 10 2448 112 1995 2047 2045 1323 789 -411 -1001 1506 835 -1308 -1904 -2275 -865 -1301 559 -19 2401 2244 1114 502 -1231 -3748 SS 20230921T122206.2Z 8664.515350 86 1 33.45 2 71.76 105.72 142.73 80.03 0.00 1 0.00 1 0 25 4.758e-02 1.114e-02 1.816e-02 1.572e-03 3.838197e-01 8.271583e-04 4.809609e-03 -6.000000e+00 2.848161e-02 228.59 -2.00 3.51 -2.00 319.42 0.00e+00 2.141347e-03 2.251465e-04 2.067313e-03 -6.000000e+00 1.271312e-03 287.09 -2.00 20.00 -2.00 318.66 0.00e+00 3.153 0.001 302.00 328.00 3 2.4240e+00 2.3307e-03 3.8000e-02 -6.0000e+00 7.0770e-02 -8.4089e-03 2.7363e-03 2.2401e-02 -6.0000e+00 7.6391e-02 8.2524e-03 2.0743e-03 1.1045e-02 -6.0000e+00 4.5593e-02 -1.1228e-02 1.0875e-03 3.0402e-03 -6.0000e+00 1.9568e-02 1.2840e-03 1.2682e-04 4.9177e-05 3.7973e-05 -6.0000e+00 1.4001e-03 2.8624e-03 0.0000e+00 12 9 9 12 1 1 89.86 22.85 0.33 0.00286 0.00382 78 26 1 5 0 423.380 26.21 20.00 22.85 16.60 21.7 957.29 -20262 -7662 -17294 -13217 -15079 -9828 -10710 -13001 -8229 -8247 -17469 -22030 -6969 -7088 -4776 -2047 -1257 2750 -3759 1401 -2051 1112 815 -3184 -3063 -2364 -3210 -3628 -3425 -4037 958 -1786 -686 -5944 -6864 -6575 -4074 -2474 -885 -1009 -57 -204 251 319 1500 1221 43 357 -261 -191 1394 1304 1417 1299 952 1494 536 371 -770 443 1651 2547 3653 3009 618 -644 -1122 -659 2262 1451 1504 1550 1108 1023 -487 -1920 -3316 -4135 -2499 -2320 -2258 -2423 -2918 -1291 158 759 1806 1428 2029 1014 370 -1304 -2178 -1289 -820 -316 467 1381 420 -389 -1719 -2202 -1092 -570 -1471 -1734 -762 -607 1095 1641 1503 920 519 -443 -745 -593 35 239 929 669 786 950 1120 839 463 -1079 -1007 201 -146 -532 -1052 -1331 -626 -144 147 211 731 1107 724 25 -367 -1217 -537 -197 -498 -346 -374 -229 -274 -387 -256 -268 -645 -939 -302 -371 -286 -133 -88 196 -302 111 -172 91 70 -303 -310 -244 -330 -362 -334 -412 103 -224 -92 -854 -966 -937 -635 -455 -192 -251 -15 -58 73 95 445 365 13 108 -80 -61 476 484 563 545 416 669 246 169 -350 200 777 1300 2020 1773 372 -371 -622 -373 1377 906 1011 1070 756 729 -324 -1173 -1918 -2429 -1586 -1681 -1680 -1988 -2576 -1190 153 781 1930 1558 2170 1047 357 -1178 -1887 -1134 -786 -338 556 1787 573 -522 -2159 -2563 -1227 -666 -1856 -2321 -1061 -891 1560 2506 2418 1501 820 -662 -1045 -876 53 344 1412 1061 1250 1471 1673 1319 700 -1581 -1444 296 -236 -857 -1791 -2349 -1142 -275 297 445 1449 2208 1440 52 -740 -2389 SS 20230921T122644.8Z 8664.518574 89 1 48.66 2 70.92 106.57 141.92 80.95 0.00 1 0.00 1 0 25 4.194e-02 1.071e-02 4.535e-03 4.714e-04 3.671971e-01 2.488628e-04 4.561502e-03 -6.000000e+00 2.511115e-02 228.59 -2.00 3.51 -2.00 319.19 0.00e+00 2.150864e-03 6.282123e-05 1.696371e-03 -6.000000e+00 1.120798e-03 287.09 -2.00 20.00 -2.00 318.42 0.00e+00 3.023 0.000 302.00 328.00 3 6.0072e-01 6.9488e-04 3.6209e-02 -6.0000e+00 6.2396e-02 -4.7506e-03 8.0717e-04 2.0696e-02 -6.0000e+00 6.7350e-02 3.9409e-03 5.8640e-04 1.0304e-02 -6.0000e+00 4.0197e-02 -9.3861e-03 3.0762e-04 2.9273e-03 -6.0000e+00 1.7253e-02 9.2044e-03 -1.8112e-05 1.4747e-05 3.7229e-05 -6.0000e+00 1.2343e-03 2.5174e-03 0.0000e+00 12 8 8 10 0 0 84.31 22.86 0.32 0.00252 0.00238 732 168 1 5 0 66.470 26.21 20.02 22.86 16.88 21.9 960.60 -7224 -6215 -7129 -13583 -16047 -15569 -15121 -12147 -11690 -13874 -14614 -12650 -8717 -4491 -2567 -2367 -2026 -305 -27 1038 -38 -70 -339 -716 -1631 -2249 -3933 -4343 -3394 -2886 -37 53 -232 -4792 -6673 -6086 -4651 -1723 -524 -652 -673 41 387 449 1373 682 322 -207 -523 258 1514 1293 1625 1216 918 1586 235 -224 -411 273 1561 2885 3475 2742 525 -915 -966 -370 2084 1595 1177 1616 1111 1088 -397 -1677 -2740 -3200 -2113 -2084 -2173 -2207 -2756 -1619 -274 376 1406 1431 1680 1308 521 -925 -1757 -846 -722 -317 624 1351 407 -607 -1658 -2170 -924 -410 -1681 -1941 -1096 -768 841 1343 1234 707 366 -261 -539 -348 122 390 1039 441 731 895 1347 785 686 -903 -775 449 -68 -406 -1106 -1292 -527 -53 229 109 758 881 629 2 -368 -1279 -209 -196 -230 -441 -496 -472 -495 -437 -459 -580 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