File name: Pandora177s1_WestportCT_20230624_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T022748.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230624_L1_smca1c7d20230401p1-8.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: 20230624 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20230624T160831.6Z 8575.672587 173 1 48.91 2 20.30 147.17 81.67 85.41 0.00 1 0.00 1 0 17 1.651e-02 1.244e-02 2.347e-03 1.285e-03 1.675902e-01 6.904460e-04 2.001537e-03 -6.000000e+00 1.004245e-02 232.94 -2.00 3.51 -2.00 315.92 0.00e+00 9.802013e-04 7.096305e-05 2.128080e-04 -6.000000e+00 4.417669e-04 287.45 -2.00 20.00 -2.00 315.18 0.00e+00 1.066 0.000 302.00 328.00 3 4.5696e+00 1.8024e-03 1.3842e-02 -6.0000e+00 2.5218e-02 4.3227e-02 1.9935e-03 8.5994e-03 -6.0000e+00 2.7131e-02 -5.2268e-03 1.1449e-03 4.1393e-03 -6.0000e+00 1.6137e-02 -6.2292e-03 5.1794e-04 1.1726e-03 -6.0000e+00 6.8657e-03 1.5796e-03 5.5950e-04 3.9572e-05 1.5060e-05 -6.0000e+00 4.8631e-04 -2.1332e-03 0.0000e+00 12 9 8 11 8 0 99.97 23.58 0.40 -0.00213 0.00207 77 18 1 5 0 635.170 26.94 20.00 23.58 30.05 21.5 1059.22 3736 1115 503 -3484 -3806 -2953 -1091 1279 -466 -3208 -4846 -1876 -1297 268 260 -348 86 1648 1746 2550 873 586 498 2030 1769 1019 -956 -875 -482 -37 1687 828 797 -3701 -5764 -5214 -3666 -1007 -437 -594 -570 39 138 227 757 562 -401 -463 -998 215 1078 1142 1039 858 409 1246 508 -288 -386 313 1304 2249 2771 2164 18 -1550 -1699 -802 1732 1407 1006 1524 1246 1395 89 -1541 -2640 -3078 -2096 -2335 -2527 -2595 -2932 -1444 -337 412 1317 1430 1696 1507 616 -1178 -1916 -717 -753 -525 556 1392 814 -542 -1643 -2121 -1330 -818 -1790 -1646 -945 -715 746 1596 1647 1220 771 -213 -385 -675 -225 163 967 734 657 909 1097 639 885 -571 -850 270 -56 -287 -961 -1263 -580 -49 391 241 730 869 425 31 -685 -1705 882 283 126 -831 -823 -610 -235 300 -119 -854 -1292 -500 -377 86 92 -130 33 634 689 1022 358 239 206 862 785 460 -424 -364 -188 -14 652 344 344 -1645 -2488 -2242 -1715 -541 -273 -416 -388 27 98 161 533 429 -300 -333 -702 150 778 870 828 706 345 1056 436 -246 -327 265 1141 1898 2472 1988 16 -1429 -1446 -673 1535 1259 967 1496 1213 1297 85 -1347 -2121 -2405 -1714 -2125 -2545 -2564 -3067 -1570 -387 502 1667 1837 2142 1818 689 -1332 -2011 -735 -818 -565 649 1736 1051 -688 -1955 -2370 -1608 -943 -2232 -2162 -1283 -1006 1083 2408 2544 1861 1114 -286 -476 -882 -296 205 1294 1038 948 1289 1499 839 1101 -750 -1081 344 -77 -373 -1296 -1729 -807 -71 593 382 1182 1423 698 50 -1078 -2632 SS 20230624T165612.4Z 8575.705699 204 1 2.21 2 17.72 180.29 73.02 93.16 0.00 1 0.00 1 0 17 1.692e-02 1.364e-02 4.104e-03 2.974e-03 1.650908e-01 1.620902e-03 2.008638e-03 -6.000000e+00 1.029008e-02 232.94 -2.00 3.51 -2.00 314.67 0.00e+00 7.652797e-04 1.297086e-04 1.224620e-04 -6.000000e+00 4.529459e-04 287.46 -2.00 20.00 -2.00 314.04 0.00e+00 1.050 0.000 302.00 328.00 3 3.6590e+00 4.1812e-03 1.3676e-02 -6.0000e+00 2.5840e-02 3.9404e-02 4.5992e-03 8.5640e-03 -6.0000e+00 2.7804e-02 -9.8859e-03 2.6345e-03 4.1117e-03 -6.0000e+00 1.6537e-02 -3.4596e-03 1.1465e-03 1.1274e-03 -6.0000e+00 7.0321e-03 4.0269e-03 5.6878e-05 8.9653e-05 1.7138e-05 -6.0000e+00 4.9865e-04 1.4860e-03 0.0000e+00 12 9 9 12 1 1 -10188.34 23.52 0.54 0.00149 0.00191 3 22 1 5 0 509.110 26.83 20.01 23.52 31.90 21.5 1070.89 3187 2036 -1353 -3231 -4643 -2560 -766 2011 -404 -3344 -3279 -1505 -1697 734 1039 -305 371 1465 1524 2197 2149 1231 1030 2244 1509 734 644 -1023 -134 -1 2222 1585 1422 -3863 -6422 -5163 -3440 -1155 -746 -960 -426 -180 883 18 362 452 -756 -214 -810 -316 1435 431 1768 898 129 1610 820 -15 -452 208 1166 1293 2699 1946 307 -1037 -1506 -487 2417 1853 855 1551 1015 1862 -462 -1795 -3071 -2554 -1205 -2285 -2659 -2908 -3448 -1919 -615 424 1454 1354 1693 1676 446 -1168 -1354 -1124 -993 -799 827 1419 747 -473 -1535 -2216 -1366 -667 -1595 -1680 -652 -653 954 1451 1891 1370 973 -11 -838 35 29 622 1074 528 602 762 1381 589 979 -177 -528 540 -343 -476 -1019 -1413 -304 116 276 328 406 916 382 -244 -669 -1850 1181 799 -537 -1197 -1576 -820 -256 730 -161 -1389 -1340 -620 -709 335 519 -151 187 745 794 1165 1147 659 559 1253 885 438 371 -561 -74 -1 1207 856 799 -2249 -3649 -2900 -2099 -758 -536 -773 -343 -149 737 15 303 371 -608 -175 -647 -253 1173 354 1498 790 117 1456 751 -14 -410 188 1094 1223 2675 1990 307 -959 -1365 -435 2269 1830 864 1598 1039 1912 -448 -1680 -2645 -2250 -1042 -2215 -2698 -3023 -3804 -2198 -705 514 1745 1653 2032 2013 525 -1260 -1423 -1165 -1089 -904 959 1762 915 -596 -1816 -2599 -1576 -805 -1978 -2095 -838 -872 1254 1986 2639 1890 1331 -14 -1038 41 35 776 1362 711 826 1027 1788 772 1214 -210 -639 657 -422 -618 -1304 -1838 -400 159 380 470 596 1358 569 -358 -954 -2592 SS 20230624T172305.7Z 8575.724372 222 1 47.82 2 18.61 199.95 68.16 97.71 0.00 1 0.00 1 0 25 2.286e-02 1.460e-02 1.112e-02 5.538e-03 1.677626e-01 2.941869e-03 2.054044e-03 -6.000000e+00 1.391006e-02 232.94 -2.00 3.51 -2.00 316.38 0.00e+00 1.011258e-03 3.330836e-04 3.263878e-04 -6.000000e+00 6.118038e-04 287.46 -2.00 20.00 -2.00 315.59 0.00e+00 1.055 0.000 302.00 328.00 3 6.6536e+00 7.7297e-03 1.3786e-02 -6.0000e+00 3.4931e-02 5.6618e-02 8.5728e-03 8.6331e-03 -6.0000e+00 3.7578e-02 -3.6996e-03 4.9339e-03 4.1618e-03 -6.0000e+00 2.2351e-02 -8.3570e-03 2.2734e-03 1.1527e-03 -6.0000e+00 9.5112e-03 1.9754e-04 6.1248e-04 1.7088e-04 1.4869e-05 -6.0000e+00 6.7347e-04 -3.2053e-03 0.0000e+00 12 8 8 10 0 0 99.98 23.50 0.46 -0.00321 0.00140 12 3 1 5 0 3984.060 26.83 19.97 23.50 31.25 21.4 1064.53 3867 6153 -2374 -6385 -7078 -11923 69 2559 -645 -3275 -1448 -3685 -1103 814 -65 -1134 600 2086 4262 4189 2441 832 2863 513 885 -472 -973 -832 2130 -192 816 1122 1783 -2972 -5545 -5465 -4020 -1578 1035 -1203 -438 1499 162 144 390 983 -1314 -665 -1318 168 1627 -133 150 62 1643 978 761 -196 -1397 -792 1851 2309 2192 2158 661 -1524 -3100 -792 2433 347 858 2279 1691 2303 -561 -2281 -4426 -3730 -1888 -2130 -1876 -2274 -2464 -1171 -287 774 1761 1814 2130 1666 320 -1295 -2237 -907 -1476 -369 987 1627 258 -478 -904 -2425 -901 -1907 -1794 -1691 -1739 -268 1108 2540 1983 1732 -54 146 -498 -887 -1182 -166 1496 509 790 1284 1652 392 600 -599 -945 -161 -264 -130 -246 -1343 -1667 -482 6 -80 1102 1470 704 75 -555 -1799 765 1248 -513 -1419 -1432 -2437 13 536 -150 -789 -338 -903 -289 235 -21 -387 206 723 1482 1493 891 307 1045 200 358 -195 -390 -312 730 -66 287 419 689 -1184 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