File name: Pandora177s1_WestportCT_20230620_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T022827.9Z 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_20230620_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: 20230620 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 20230620T133525.6Z 8571.566268 188 1 3.38 2 45.01 97.25 66.75 75.78 0.00 1 0.00 1 0 17 1.782e-02 1.367e-02 2.832e-03 1.648e-03 2.046659e-01 8.888279e-04 2.454675e-03 -6.000000e+00 1.083545e-02 232.94 -2.00 3.51 -2.00 315.68 0.00e+00 8.611615e-04 8.707413e-05 2.288282e-04 -6.000000e+00 4.761629e-04 287.07 -2.00 20.00 -2.00 314.97 0.00e+00 1.412 0.000 302.00 328.00 3 2.7112e+00 2.3132e-03 1.7768e-02 -6.0000e+00 2.7213e-02 8.0710e-03 2.5579e-03 1.0547e-02 -6.0000e+00 2.9284e-02 -5.0388e-03 1.4660e-03 5.0722e-03 -6.0000e+00 1.7413e-02 -6.4810e-03 6.5896e-04 1.3887e-03 -6.0000e+00 7.4018e-03 6.7976e-03 3.7183e-04 5.0129e-05 1.8822e-05 -6.0000e+00 5.2505e-04 1.3010e-03 0.0000e+00 12 9 9 12 1 1 22.44 23.57 0.26 0.00130 0.00410 13 48 1 5 0 228.820 26.94 20.01 23.57 25.17 21.1 1025.79 3557 1498 742 -3232 -4089 -3109 -1511 771 -1868 -3325 -5466 -3047 -2045 699 239 1317 1029 1829 1273 2232 1107 380 1889 1293 2842 1072 -153 -952 -1389 -272 739 1765 841 -3019 -5791 -5423 -4081 -1843 225 -784 -267 40 867 512 855 435 -74 -460 -1322 -45 1086 1374 1191 1044 607 1194 568 -217 -624 -4 1390 2200 2884 2558 131 -1229 -1949 -852 1723 1686 1030 1864 1387 1437 235 -2013 -3443 -3903 -2400 -2610 -2417 -2550 -2742 -1691 -175 358 1372 1528 1859 1581 487 -894 -2000 -788 -487 -455 616 1617 950 -731 -1580 -2454 -1470 -579 -1496 -1724 -1064 -603 770 1866 1528 1307 806 -161 -474 -659 -50 -32 1175 984 1032 1037 1141 856 806 -630 -1080 176 -60 -166 -1000 -1404 -463 -61 466 208 874 761 584 -113 -607 -1856 890 404 198 -829 -962 -703 -361 201 -540 -991 -1517 -860 -635 239 91 530 396 719 519 927 469 162 806 582 1320 513 -72 -424 -588 -112 318 808 407 -1500 -2825 -2653 -2188 -1063 140 -551 -188 29 638 380 630 318 -53 -341 -969 -33 826 1038 947 860 514 1023 493 -188 -537 -3 1163 1962 2729 2360 127 -1108 -1644 -756 1529 1569 1033 1904 1406 1392 225 -1774 -2989 -3324 -2145 -2457 -2379 -2720 -2938 -1894 -207 426 1697 1918 2293 1865 563 -948 -2101 -815 -536 -521 730 2046 1190 -947 -1913 -2949 -1733 -677 -1893 -2198 -1406 -826 1047 2640 2232 1889 1107 -216 -619 -827 -64 -42 1584 1399 1424 1472 1564 1127 1061 -798 -1330 218 -80 -222 -1393 -1997 -670 -87 705 314 1348 1191 914 -175 -907 -2853 SS 20230620T134030.3Z 8571.569795 192 1 47.23 2 44.06 98.22 65.85 76.50 0.00 1 0.00 1 0 17 1.845e-02 1.267e-02 7.995e-03 3.160e-03 2.016983e-01 1.682217e-03 2.398478e-03 -6.000000e+00 1.122991e-02 232.94 -2.00 3.51 -2.00 316.92 0.00e+00 1.713585e-03 2.180986e-04 3.263967e-04 -6.000000e+00 4.928350e-04 287.07 -2.00 20.00 -2.00 316.12 0.00e+00 1.390 0.000 302.00 328.00 3 5.5881e+00 4.4497e-03 1.7513e-02 -6.0000e+00 2.8205e-02 3.6607e-02 4.9550e-03 1.0443e-02 -6.0000e+00 3.0339e-02 -8.3735e-04 2.8998e-03 5.0846e-03 -6.0000e+00 1.8041e-02 -1.0968e-02 1.3813e-03 1.6346e-03 -6.0000e+00 7.6791e-03 3.8701e-04 2.8932e-04 9.7782e-05 1.6435e-05 -6.0000e+00 5.4338e-04 -6.8642e-03 0.0000e+00 12 9 9 12 9 1 98.44 23.60 0.50 -0.00686 -0.00469 12 3 1 5 0 3632.470 26.94 20.01 23.60 25.56 21.2 1028.81 6350 2717 -899 -3501 -2961 -4027 -1852 -630 -2861 -2828 -3581 -4783 -2168 -2182 658 575 -701 3058 1489 1289 1691 -200 1316 65 1639 -642 1110 -3442 -2905 -410 -233 1918 397 -4115 -6086 -4267 -3477 -621 -56 -55 -210 -765 896 175 1316 638 -969 599 307 225 988 880 1172 1189 1032 1151 1204 -897 765 -154 1820 1980 2818 1642 -305 -219 -2366 -1359 1811 357 1145 1648 758 883 -348 -1313 -3096 -1971 -2627 -2595 -2462 -3315 -3462 -1764 214 204 1350 1559 1625 2170 426 -1062 -2397 -766 -552 -113 958 1290 922 -318 -1310 -3125 -1148 -1063 -1456 -1403 -916 -829 866 1585 1758 1006 483 -75 87 -645 -368 -177 1069 787 853 668 1132 759 453 -319 -977 482 -162 -796 -1054 -1028 -551 295 602 237 926 560 548 -163 -502 -1796 873 411 -139 -516 -422 -557 -266 -100 -499 -502 -635 -892 -438 -501 164 153 -196 847 432 385 508 -61 400 21 541 -220 362 -1111 -884 -120 -71 619 137 -1467 -2112 -1454 -1295 -265 -28 -31 -127 -484 567 112 834 403 -607 357 180 133 607 574 801 840 746 845 889 -671 556 -113 1376 1604 2421 1474 -270 -178 -1825 -1032 1445 321 1095 1613 741 825 -305 -1044 -2282 -1395 -1984 -2183 -2295 -3376 -3737 -1975 251 238 1639 1923 1978 2688 495 -1133 -2396 -746 -570 -128 1177 1594 1184 -401 -1663 -3762 -1335 -1298 -1912 -1945 -1230 -1159 1251 2394 2730 1558 712 -110 118 -839 -483 -244 1560 1134 1251 966 1687 1088 620 -417 -1240 614 -220 -1155 -1585 -1570 -858 477 955 394 1570 966 945 -278 -827 -2905 SS 20230620T134551.9Z 8571.573517 195 1 48.74 2 43.07 99.26 64.90 77.25 0.00 1 0.00 1 0 17 1.729e-02 1.186e-02 6.582e-03 2.652e-03 1.994652e-01 1.414995e-03 2.410368e-03 -6.000000e+00 1.052549e-02 232.94 -2.00 3.51 -2.00 316.97 0.00e+00 9.950310e-04 1.835129e-04 4.133527e-04 -6.000000e+00 4.619552e-04 287.07 -2.00 20.00 -2.00 316.16 0.00e+00 1.367 0.000 302.00 328.00 3 5.2632e+00 3.7430e-03 1.7268e-02 -6.0000e+00 2.6435e-02 3.5290e-02 4.1669e-03 1.0322e-02 -6.0000e+00 2.8437e-02 -5.3295e-03 2.4325e-03 4.9890e-03 -6.0000e+00 1.6910e-02 -6.0817e-03 1.1513e-03 1.3832e-03 -6.0000e+00 7.1969e-03 5.5251e-04 2.3887e-04 8.2956e-05 1.6573e-05 -6.0000e+00 5.0934e-04 -6.3985e-03 0.0000e+00 12 8 8 10 0 0 99.62 23.63 0.22 -0.00640 -0.00460 38 9 1 5 0 1282.600 27.05 19.96 23.63 25.85 21.1 1030.33 3627 -664 280 -191 -1916 -4258 -24 -1523 -375 -3740 -6820 -4532 -1341 -124 -1581 97 -565 1874 1631 2720 704 1197 3208 1052 1805 -127 -338 -1521 -669 79 -180 2268 -323 -3272 -5355 -4723 -3862 -1286 -1413 -455 76 -601 527 -55 690 -333 222 -692 -452 594 222 1374 1427 1108 714 2311 504 247 -384 51 1116 2408 2851 1845 629 -1720 -1366 -950 1740 1530 1072 1078 470 1400 -295 -1037 -2954 -3304 -2466 -2924 -2409 -2879 -2511 -1517 150 326 1589 1372 1330 1187 159 -434 -2286 -619 -1206 -658 229 1202 541 -610 -1673 -2234 -969 -322 -1016 -1711 -1081 -920 1098 1656 1376 1171 526 115 -189 -759 -267 382 951 615 523 407 1079 815 967 -725 -924 249 -250 -353 -1173 -1419 -677 83 398 367 582 658 556 129 -552 -1494 559 -113 47 -30 -273 -599 -3 -248 -65 -684 -1277 -858 -272 -28 -405 26 -158 524 471 799 213 359 957 335 597 -44 -112 -482 -199 23 -55 721 -110 -1142 -1822 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