File name: Pandora177s1_WestportCT_20240209_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T165012.3Z 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_20240209_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: 20240209 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 20240209T150255.2Z 8805.627027 138 1 48.71 2 62.83 145.77 67.70 151.45 0.00 1 0.00 1 0 17 3.306e-02 1.080e-02 9.618e-03 1.555e-03 3.242235e-01 8.033835e-04 3.920602e-03 -6.000000e+00 1.947904e-02 224.66 -2.00 3.51 -2.00 318.61 0.00e+00 2.421506e-03 1.635277e-04 8.722961e-04 -6.000000e+00 8.404407e-04 275.08 -2.00 20.00 -2.00 318.04 0.00e+00 2.178 0.000 302.00 328.00 3 3.7078e+00 2.1657e-03 2.7300e-02 -6.0000e+00 4.8161e-02 1.5302e-02 2.4639e-03 1.6467e-02 -6.0000e+00 5.2256e-02 1.3209e-03 1.6936e-03 8.7624e-03 -6.0000e+00 3.1056e-02 -9.4627e-03 8.8421e-04 3.2915e-03 -6.0000e+00 1.3277e-02 9.7378e-04 3.7459e-04 4.8681e-05 3.7445e-05 -6.0000e+00 9.7171e-04 7.9094e-03 0.0000e+00 12 8 8 10 0 0 98.46 23.04 0.25 0.00791 0.01072 60 14 1 5 0 811.770 26.41 20.01 23.04 12.03 22.8 941.13 -3626 -442 -7949 -4895 -16059 -5221 -12002 -5696 -16228 -12164 -7894 -9758 -3324 -2795 1545 -2793 15 406 3574 817 854 2715 39 2033 -1805 -502 -2914 -2089 -2504 -527 3188 1282 2231 -5372 -4227 -6189 -2241 -668 -788 -984 -1021 156 -72 804 469 1415 -411 -593 -849 970 1795 1332 1771 705 1155 647 -126 -680 -354 359 1252 3288 3127 2372 -131 -728 -1738 -474 2068 1388 1494 1117 991 665 -144 -1743 -2457 -2840 -2157 -2239 -2368 -2272 -2855 -1391 -393 508 1328 1357 1431 1588 751 -1121 -1565 -1072 -808 -296 736 1131 231 -373 -1811 -1692 -720 -537 -1782 -1816 -1150 -641 917 1358 1340 563 326 -364 -420 -423 -92 394 974 626 638 835 1012 718 804 -906 -635 418 -102 -628 -972 -1275 -386 43 209 149 781 929 555 46 -531 -1288 -178 -23 -442 -247 -835 -239 -635 -318 -1090 -808 -513 -703 -261 -259 158 -327 2 51 459 112 118 370 6 303 -294 -82 -479 -327 -382 -81 517 235 434 -1127 -845 -1279 -498 -174 -243 -345 -388 61 -29 326 192 574 -168 -241 -347 402 789 633 890 374 628 362 -72 -384 -197 200 727 2035 2104 1683 -94 -491 -1122 -308 1443 1086 1250 873 837 534 -107 -1190 -1569 -1821 -1498 -1765 -2096 -1994 -2682 -1363 -406 554 1506 1562 1618 1707 752 -1152 -1526 -1059 -787 -319 876 1458 311 -491 -2229 -1924 -797 -622 -2233 -2402 -1582 -923 1389 2188 2250 951 528 -552 -593 -577 -127 572 1496 1004 1029 1313 1533 1047 1118 -1221 -833 563 -149 -993 -1611 -2176 -677 78 405 275 1465 1759 1048 85 -1027 -2425 SS 20240209T150810.4Z 8805.630676 141 1 48.77 2 62.28 147.06 67.23 152.64 0.00 1 0.00 1 0 17 2.709e-02 1.076e-02 5.908e-03 1.017e-03 3.216206e-01 5.229353e-04 3.846937e-03 -6.000000e+00 1.595859e-02 224.66 -2.00 3.51 -2.00 318.51 0.00e+00 2.401372e-03 1.032909e-04 7.644465e-04 -6.000000e+00 6.885185e-04 275.08 -2.00 20.00 -2.00 317.93 0.00e+00 2.139 0.000 302.00 328.00 3 2.9881e+00 1.4022e-03 2.6843e-02 -6.0000e+00 3.9457e-02 2.0729e-02 1.5912e-03 1.6221e-02 -6.0000e+00 4.2811e-02 -4.9142e-03 1.0862e-03 8.5596e-03 -6.0000e+00 2.5443e-02 -6.3730e-03 5.6901e-04 3.1941e-03 -6.0000e+00 1.0878e-02 2.0820e-03 2.6261e-04 3.1566e-05 3.4093e-05 -6.0000e+00 7.9604e-04 7.5782e-03 0.0000e+00 12 9 8 11 8 0 98.85 23.05 0.37 0.00758 0.00955 144 33 1 5 0 338.640 26.41 19.98 23.05 12.16 22.8 942.04 -3161 -1203 -6771 -8206 -9258 -8064 -7684 -5175 -7134 -9110 -9885 -8890 -4583 -1846 -18 -1978 813 2450 1729 2699 87 1429 -20 1185 -888 -723 -2648 -2773 -2280 -618 2145 1391 746 -4159 -5449 -4904 -3952 -655 -616 -723 -966 -184 -242 427 1085 547 493 120 -273 500 1700 1173 1739 1014 1151 1236 46 -394 -525 328 1389 2662 2823 2311 51 -1209 -1425 -275 1938 1318 1050 1344 1055 905 -203 -1847 -2956 -3126 -1836 -2129 -2423 -2399 -2883 -1360 -271 453 1399 1232 1738 1405 515 -1014 -1724 -790 -557 -241 664 1448 395 -490 -1578 -1871 -688 -392 -1797 -1822 -1097 -694 930 1208 1309 623 333 -343 -585 -220 141 306 934 575 652 948 1383 620 626 -803 -710 313 -126 -591 -1003 -1317 -498 33 297 100 705 863 434 -14 -522 -1319 -168 -68 -404 -464 -487 -410 -420 -309 -471 -631 -705 -681 -391 -181 -2 -245 104 324 241 385 13 209 -3 189 -152 -126 -460 -462 -367 -100 370 268 155 -906 -1159 -1050 -936 -179 -199 -264 -384 -76 -102 182 462 234 209 50 -116 217 778 580 908 557 651 714 27 -230 -303 190 835 1717 1973 1545 35 -847 -948 -184 1398 968 828 1081 836 681 -156 -1304 -1958 -2072 -1308 -1724 -2007 -2168 -2786 -1369 -288 509 1631 1460 2015 1557 533 -973 -1574 -726 -555 -267 810 1907 545 -661 -1989 -2188 -780 -464 -2308 -2471 -1546 -1025 1442 1829 2064 987 506 -532 -848 -307 199 454 1466 866 1076 1522 2135 926 892 -1105 -953 432 -188 -954 -1696 -2103 -816 57 537 189 1349 1666 837 -26 -943 -2321 SS 20240209T151332.7Z 8805.634407 144 1 49.05 2 61.74 148.40 66.77 153.87 0.00 1 0.00 1 0 17 2.566e-02 1.073e-02 8.011e-03 1.345e-03 3.165071e-01 6.993766e-04 3.774079e-03 -6.000000e+00 1.512010e-02 224.66 -2.00 3.51 -2.00 318.56 0.00e+00 2.282947e-03 1.387745e-04 7.581952e-04 -6.000000e+00 6.523249e-04 275.08 -2.00 20.00 -2.00 317.99 0.00e+00 2.102 0.000 302.00 328.00 3 3.5470e+00 1.8801e-03 2.6377e-02 -6.0000e+00 3.7384e-02 2.0382e-02 2.1325e-03 1.5921e-02 -6.0000e+00 4.0561e-02 -2.0618e-03 1.4413e-03 8.4227e-03 -6.0000e+00 2.4106e-02 -7.5846e-03 7.5276e-04 3.1258e-03 -6.0000e+00 1.0306e-02 1.2431e-03 3.5664e-04 4.2170e-05 3.2859e-05 -6.0000e+00 7.5419e-04 7.3679e-03 0.0000e+00 12 8 8 10 0 0 99.94 23.04 0.32 0.00737 0.01005 78 18 1 5 0 628.770 26.41 20.03 23.04 12.30 22.9 943.65 1479 -3907 -2841 -8361 -8484 -10120 -4129 -4611 -4034 -11081 -8087 -8648 -4321 104 -1243 -588 -1481 3179 1252 2291 1527 -1172 1303 1278 -53 -1534 -2891 -3483 -1804 -400 120 600 604 -2739 -6098 -4288 -3446 -460 -679 -814 -787 -761 -6 562 907 795 786 -26 -40 699 1437 1398 1356 1323 924 1762 -215 -514 -728 94 1307 2529 3165 2234 18 -971 -1155 -584 1854 1236 1243 1500 1179 1041 -507 -1428 -2280 -2769 -2096 -2416 -2084 -2626 -2890 -1419 -231 428 1484 1424 1748 1192 472 -1165 -1834 -625 -775 -224 576 1383 533 -383 -1714 -1925 -742 -584 -1543 -1864 -987 -699 869 1339 1208 734 354 -338 -456 -573 -22 272 1057 505 880 811 1318 505 552 -797 -730 469 -58 -450 -1102 -1171 -604 211 196 120 827 690 568 -100 -533 -1326 73 -220 -158 -460 -430 -510 -212 -266 -251 -761 -596 -640 -356 10 -134 -69 -186 435 168 341 232 -183 204 211 -9 -280 -523 -607 -300 -67 22 121 130 -607 -1346 -941 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