File name: Pandora177s1_WestportCT_20230626_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T124527.8Z 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_20230626_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: 20230626 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 20230626T140802.8Z 8577.588922 213 1 48.87 2 39.26 103.69 123.71 57.67 0.00 1 0.00 1 0 33 2.099e-02 1.399e-02 9.415e-03 4.047e-03 1.805497e-01 2.157674e-03 2.181937e-03 -6.000000e+00 1.276102e-02 232.94 -2.00 3.51 -2.00 316.81 0.00e+00 1.015423e-03 2.696619e-04 3.623370e-04 -6.000000e+00 5.621397e-04 287.63 -2.00 20.00 -2.00 315.97 0.00e+00 1.290 0.000 302.00 328.00 3 5.6414e+00 5.7079e-03 1.6045e-02 -6.0000e+00 3.2042e-02 5.2237e-02 6.3523e-03 9.3451e-03 -6.0000e+00 3.4477e-02 -4.2926e-03 3.6860e-03 4.5049e-03 -6.0000e+00 2.0508e-02 -7.9999e-03 1.7211e-03 1.2549e-03 -6.0000e+00 8.7228e-03 4.2238e-04 7.6189e-04 1.2820e-04 1.5774e-05 -6.0000e+00 6.1841e-04 5.4899e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.51 0.62 0.00549 0.01122 90 21 1 5 0 542.930 26.83 20.00 23.51 27.79 21.3 1042.39 2854 -818 335 -3990 -1554 -9024 3111 -2005 562 -6073 -2213 -1433 -1904 2147 -547 2253 -2418 3256 387 4936 987 340 3704 -83 3641 -798 -487 -2511 811 -1274 1995 2598 1104 -2141 -7196 -2574 -6097 -1037 -2023 27 113 113 972 -854 1305 -1059 115 -1077 -1241 -431 735 1553 -323 1612 -756 2140 -479 810 -623 1209 1330 1626 4509 1685 1005 -2341 -1009 -1824 1692 1334 1357 1905 949 1509 -554 -1768 -3370 -3930 -2958 -2054 -1659 -2875 -2663 -2111 231 355 1409 1498 1899 1687 -41 -1003 -2659 -571 -1373 -235 630 1528 837 -448 -1482 -2881 -587 -1935 -1681 -2189 -661 -776 1061 1890 1549 1378 549 -86 -1272 -1003 -658 157 1347 162 1298 408 1642 -337 1328 -1008 -563 288 -512 130 -743 -828 -899 262 -97 97 745 1155 588 275 -328 -2287 494 -154 61 -695 -240 -1452 474 -359 105 -1227 -425 -283 -417 510 -147 622 -718 937 118 1472 308 106 1136 -28 1217 -281 -165 -816 259 -408 646 893 401 -790 -2661 -914 -2491 -476 -1098 16 72 74 643 -576 859 -703 73 -669 -754 -261 461 1024 -227 1145 -561 1568 -362 597 -461 886 1018 1330 3810 1500 866 -1906 -750 -1368 1333 1168 1268 1815 901 1361 -471 -1366 -2411 -2754 -2181 -1670 -1485 -2809 -2741 -2281 261 426 1757 1895 2355 1996 -45 -1011 -2522 -527 -1359 -252 735 1900 1078 -565 -1750 -3228 -639 -2250 -2089 -2881 -892 -1090 1537 2847 2398 2102 796 -115 -1726 -1304 -864 216 1963 232 2027 632 2426 -485 1789 -1316 -707 366 -694 185 -1098 -1242 -1383 417 -162 170 1329 2078 1061 488 -565 -3903 SS 20230626T143047.6Z 8577.604717 223 1 48.57 2 35.15 109.02 120.19 62.63 0.00 1 0.00 1 0 25 1.750e-02 1.354e-02 3.637e-04 2.064e-04 1.700775e-01 1.107429e-04 2.036215e-03 -6.000000e+00 1.063710e-02 232.94 -2.00 3.51 -2.00 315.77 0.00e+00 9.288831e-04 1.110933e-05 2.041283e-04 -6.000000e+00 4.688190e-04 287.64 -2.00 20.00 -2.00 315.02 0.00e+00 1.222 0.000 302.00 328.00 3 1.2406e+00 2.8849e-04 1.5136e-02 -6.0000e+00 2.6709e-02 2.0102e-02 3.1969e-04 8.7557e-03 -6.0000e+00 2.8744e-02 -6.3093e-03 1.8285e-04 4.2024e-03 -6.0000e+00 1.7098e-02 -5.9851e-03 8.2299e-05 1.1723e-03 -6.0000e+00 7.2675e-03 3.8127e-02 7.2014e-04 6.3029e-06 1.5339e-05 -6.0000e+00 5.1586e-04 9.4299e-03 0.0000e+00 12 8 8 10 0 0 99.95 23.48 0.37 0.00943 0.01484 1283 295 1 5 0 37.730 26.83 20.01 23.48 30.83 21.5 1064.13 2876 1588 367 -3063 -3590 -3167 -530 770 -555 -3674 -4928 -3161 -1329 378 854 293 170 1596 1646 2372 1096 778 1568 1966 1953 944 -304 -981 -653 -566 1276 1680 603 -3734 -6196 -5359 -4144 -1175 -271 -550 -481 -7 308 301 895 315 -227 -751 -1127 -249 900 1064 1178 1009 568 1327 449 -174 -481 121 1223 2428 2988 2443 227 -1625 -2056 -1222 1636 1579 1353 1817 1520 1565 -53 -1640 -3277 -3735 -2383 -2404 -2418 -2587 -2857 -1598 -252 537 1599 1600 1952 1517 416 -1171 -2133 -1040 -817 -180 817 1626 861 -375 -1694 -2545 -1409 -831 -1637 -1790 -999 -750 910 1716 1818 1368 740 -144 -835 -801 -410 38 1025 760 967 846 1168 743 810 -810 -987 169 -7 -117 -833 -1240 -620 -40 380 322 812 890 634 -64 -700 -1846 711 415 95 -748 -799 -681 -119 190 -149 -1024 -1373 -895 -407 128 316 115 68 648 686 1005 473 335 680 887 918 410 -142 -432 -270 -230 531 741 279 -1770 -2869 -2481 -2110 -624 -167 -379 -354 -5 236 231 679 237 -166 -533 -781 -173 645 805 931 822 474 1117 383 -148 -405 103 1072 2065 2684 2254 205 -1490 -1754 -1035 1467 1437 1318 1805 1495 1470 -51 -1438 -2663 -2973 -1990 -2234 -2274 -2626 -3069 -1791 -298 673 1917 1947 2330 1876 478 -1232 -2099 -1099 -839 -202 992 2105 1065 -492 -2084 -2962 -1617 -1002 -2131 -2272 -1310 -1020 1277 2504 2709 2011 1031 -201 -1085 -1002 -519 50 1450 1049 1355 1167 1552 1028 1063 -1024 -1209 209 -9 -162 -1194 -1808 -850 -57 569 503 1297 1439 1026 -102 -1086 -2821 SS 20230626T143557.3Z 8577.608302 226 1 47.62 2 34.24 110.34 119.37 63.71 0.00 1 0.00 1 0 17 1.739e-02 1.246e-02 8.905e-03 4.176e-03 1.665424e-01 2.228946e-03 2.020320e-03 -6.000000e+00 1.057618e-02 232.94 -2.00 3.51 -2.00 316.53 0.00e+00 1.161104e-03 2.598693e-04 2.905780e-04 -6.000000e+00 4.658699e-04 287.64 -2.00 20.00 -2.00 315.72 0.00e+00 1.209 0.000 302.00 328.00 3 5.0315e+00 5.8704e-03 1.4941e-02 -6.0000e+00 2.6556e-02 4.5461e-02 6.5163e-03 8.6172e-03 -6.0000e+00 2.8574e-02 -1.6833e-03 3.7555e-03 4.1482e-03 -6.0000e+00 1.6997e-02 -7.6090e-03 1.7386e-03 1.1963e-03 -6.0000e+00 7.2297e-03 8.6779e-04 7.4118e-04 1.3014e-04 1.4265e-05 -6.0000e+00 5.1248e-04 5.0896e-03 0.0000e+00 12 8 8 10 0 0 99.91 23.48 0.11 0.00509 0.01066 14 3 2 5 0 3401.180 26.83 19.96 23.48 31.18 21.3 1064.89 -806 570 1378 -1103 -5290 -973 1169 38 -1773 -5923 -2871 -3701 1590 3003 -1210 -2591 -907 2931 3468 890 1179 -138 1512 725 1236 1441 15 858 -1439 -12 346 1491 1685 -4044 -3874 -4937 -4224 -1435 -1521 -696 -440 -449 887 753 130 -55 -306 -520 -235 -602 1951 -358 1217 942 402 1659 101 311 -935 963 1031 3294 2896 1828 919 -1658 -1347 -1855 2159 464 1611 914 1192 1640 -236 -1477 -3275 -3397 -2460 -2403 -2588 -3007 -2683 -1214 -135 670 997 1323 1777 1074 525 -1032 -2026 -1364 242 -1225 1225 1255 344 -166 -1029 -2821 -1241 -267 -1683 -1284 -298 -876 1030 1485 2027 852 794 -544 -96 -120 -998 365 722 1183 642 260 944 347 735 -856 -1115 125 -183 -314 -263 -878 -903 -241 182 140 697 939 737 24 -752 -1488 -163 119 278 -209 -945 -161 202 7 -376 -1320 -612 -821 368 770 -356 -814 -287 978 1182 319 424 -50 545 274 485 568 6 308 -497 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