File name: Pandora177s1_WestportCT_20230808_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T133306.9Z 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_20230808_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: 20230808 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 20230808T131057.5Z 8620.549276 292 1 38.53 2 54.80 99.50 39.39 245.68 0.00 1 0.00 1 0 17 1.724e-02 1.186e-02 5.428e-04 2.110e-04 2.250634e-01 1.121545e-04 2.721160e-03 -6.000000e+00 1.047153e-02 232.09 -2.00 3.51 -2.00 316.92 0.00e+00 1.131074e-03 1.472081e-05 4.129361e-04 -6.000000e+00 4.662346e-04 289.99 -2.00 20.00 -2.00 316.07 0.00e+00 1.730 0.000 302.00 328.00 3 4.1144e-01 2.9606e-04 2.0964e-02 -6.0000e+00 2.6218e-02 2.3638e-02 3.2986e-04 1.1690e-02 -6.0000e+00 2.8197e-02 -3.3746e-03 1.9304e-04 5.6511e-03 -6.0000e+00 1.6811e-02 -6.6615e-03 9.2496e-05 1.5672e-03 -6.0000e+00 7.1970e-03 4.7569e-02 -2.1884e-04 6.4954e-06 1.8443e-05 -6.0000e+00 5.0762e-04 -8.6748e-03 0.0000e+00 12 8 8 10 0 0 99.94 23.57 0.34 -0.00867 -0.01032 1503 346 1 5 0 25.340 26.94 20.01 23.57 29.37 21.8 1045.56 1986 700 -285 -3400 -4255 -3703 -1579 -74 -1367 -4421 -5900 -4286 -2168 -390 625 295 138 1670 1578 2325 1112 644 1475 1829 1757 807 -545 -1268 -986 -894 1235 1571 1067 -3031 -5836 -4921 -4044 -1219 -223 -628 -659 -100 267 271 872 534 -164 -496 -997 -222 968 1052 1177 1110 601 1386 600 -125 -397 103 1086 2267 2823 2412 372 -1319 -1509 -1103 1661 1498 1037 1554 1184 1338 56 -1342 -2687 -3389 -2142 -2226 -2411 -2454 -2879 -1735 -379 302 1327 1324 1719 1403 594 -753 -1777 -783 -641 -309 540 1396 679 -396 -1433 -2255 -1118 -559 -1562 -1932 -1088 -962 663 1447 1519 1140 703 20 -472 -427 -48 110 980 566 751 746 1192 771 896 -559 -852 364 -13 -233 -869 -1265 -603 -71 306 139 620 802 594 -44 -424 -1542 280 107 -44 -501 -576 -479 -212 -11 -223 -764 -1032 -766 -422 -85 152 77 38 465 455 686 336 195 451 583 589 278 -186 -412 -303 -271 385 528 381 -1126 -2135 -1778 -1591 -551 -107 -343 -390 -61 167 170 544 332 -101 -296 -587 -131 593 686 809 792 442 1032 455 -95 -297 77 839 1860 2474 2021 311 -1133 -1204 -871 1381 1272 953 1466 1112 1203 52 -1130 -2090 -2573 -1700 -1975 -2188 -2425 -3034 -1909 -439 371 1570 1599 2046 1738 687 -801 -1764 -761 -661 -349 669 1717 875 -504 -1857 -2736 -1315 -684 -2069 -2508 -1463 -1347 964 2205 2396 1797 1060 27 -616 -576 -66 145 1365 836 1128 1103 1700 1059 1268 -762 -1122 482 -18 -325 -1262 -1880 -914 -111 506 242 1023 1339 994 -72 -729 -2595 SS 20230808T131527.6Z 8620.552403 295 1 36.56 2 53.97 100.34 40.14 246.82 0.00 1 0.00 1 0 17 1.709e-02 1.183e-02 5.259e-04 2.053e-04 2.209543e-01 1.091589e-04 2.678125e-03 -6.000000e+00 1.037882e-02 232.09 -2.00 3.51 -2.00 316.94 0.00e+00 1.058636e-03 1.437193e-05 4.112964e-04 -6.000000e+00 4.621637e-04 289.99 -2.00 20.00 -2.00 316.10 0.00e+00 1.695 0.000 302.00 328.00 3 3.0623e-01 2.8791e-04 2.0563e-02 -6.0000e+00 2.5986e-02 2.2222e-02 3.2100e-04 1.1490e-02 -6.0000e+00 2.7948e-02 -3.9043e-03 1.8756e-04 5.5472e-03 -6.0000e+00 1.6663e-02 -6.0170e-03 8.9959e-05 1.5295e-03 -6.0000e+00 7.1326e-03 5.5129e-02 -3.0396e-04 6.3327e-06 1.8356e-05 -6.0000e+00 5.0320e-04 -7.8673e-03 0.0000e+00 12 8 8 10 0 0 98.83 23.56 0.35 -0.00787 -0.01015 1810 416 1 5 0 19.830 26.94 20.01 23.56 29.58 21.9 1047.51 2307 891 -13 -3473 -4311 -3506 -1629 77 -1162 -3900 -5837 -3954 -1909 -212 683 82 97 1577 1595 2297 1172 611 1511 1915 1756 893 -667 -1156 -953 -830 1298 1603 968 -3134 -5951 -5034 -4012 -1253 -183 -595 -568 -112 276 163 806 511 -200 -575 -1035 -274 889 1027 1106 1070 489 1302 554 -172 -388 79 1094 2292 2787 2360 315 -1339 -1577 -1106 1613 1545 997 1543 1155 1309 17 -1400 -2639 -3407 -2076 -2181 -2374 -2471 -2882 -1744 -415 271 1317 1335 1679 1390 545 -767 -1797 -769 -682 -320 544 1358 680 -416 -1412 -2227 -1153 -589 -1567 -1945 -1071 -974 648 1456 1533 1122 714 32 -475 -422 -55 145 984 533 768 724 1173 776 914 -536 -846 420 20 -222 -841 -1270 -601 -50 280 139 605 791 574 -71 -461 -1631 329 138 -2 -519 -590 -458 -222 11 -192 -677 -1030 -711 -373 -47 167 22 27 440 460 677 354 185 461 609 588 308 -227 -375 -292 -250 402 534 343 -1155 -2158 -1803 -1562 -560 -87 -322 -332 -68 170 101 497 314 -121 -338 -600 -159 536 658 747 750 354 953 412 -128 -286 58 830 1845 2396 2116 282 -1126 -1232 -854 1311 1398 896 1422 1061 1256 15 -1153 -2005 -2525 -1607 -1886 -2291 -2381 -2959 -1870 -469 325 1644 1701 2111 1679 614 -794 -1895 -794 -747 -352 654 1758 922 -557 -1776 -2623 -1318 -701 -2017 -2660 -1517 -1325 915 2154 2344 1714 1044 46 -651 -552 -73 200 1439 763 1118 1039 1757 1119 1253 -708 -1080 538 28 -324 -1281 -1977 -880 -77 448 233 1038 1374 999 -122 -768 -2657 SS 20230808T132044.8Z 8620.556074 298 1 29.37 2 52.99 101.35 41.03 248.12 0.00 1 0.00 1 0 17 1.697e-02 1.199e-02 1.886e-03 8.046e-04 2.172228e-01 4.296894e-04 2.620282e-03 -6.000000e+00 1.031046e-02 232.09 -2.00 3.51 -2.00 316.65 0.00e+00 1.125619e-03 5.268530e-05 3.458379e-04 -6.000000e+00 4.590265e-04 289.99 -2.00 20.00 -2.00 315.81 0.00e+00 1.657 0.000 302.00 328.00 3 2.9066e+00 1.1289e-03 2.0119e-02 -6.0000e+00 2.5815e-02 4.7676e-02 1.2553e-03 1.1250e-02 -6.0000e+00 2.7763e-02 -4.5489e-03 7.2963e-04 5.4371e-03 -6.0000e+00 1.6552e-02 -6.5856e-03 3.4489e-04 1.5166e-03 -6.0000e+00 7.0870e-03 4.2304e-03 -2.3384e-04 2.4745e-05 1.8381e-05 -6.0000e+00 4.9976e-04 -9.3485e-03 0.0000e+00 12 9 9 12 1 1 99.97 23.58 0.32 -0.00935 -0.01111 113 43 1 5 0 256.100 26.94 20.01 23.58 29.98 21.9 1050.55 2711 825 631 -3500 -3551 -3472 -1856 126 -1274 -3289 -6066 -2844 -2136 303 427 -207 -187 1216 1593 2141 1408 617 1781 2183 1737 786 -737 -1382 -1323 -423 910 1862 1135 -3055 -5881 -5292 -4059 -1440 -135 -748 -501 -131 167 356 756 603 -292 -692 -1011 82 1026 1155 1170 1139 589 1466 398 -209 -236 47 1212 2230 2956 2308 222 -1214 -1542 -1098 1682 1556 1049 1536 1159 1409 140 -1446 -2466 -3483 -1994 -2178 -2399 -2415 -2779 -1758 -402 317 1196 1307 1677 1527 572 -717 -1781 -777 -631 -478 534 1384 689 -386 -1552 -2214 -1106 -539 -1629 -1860 -1148 -969 603 1435 1570 1191 687 40 -306 -551 -59 118 1002 475 849 694 1186 766 982 -427 -992 365 84 -219 -785 -1201 -613 -65 287 72 620 722 654 -51 -471 -1632 430 143 109 -584 -538 -504 -281 21 -233 -629 -1187 -558 -462 73 115 -60 -56 373 503 692 464 205 591 755 634 295 -273 -488 -442 -138 306 670 434 -1214 -2299 -2047 -1701 -630 -69 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