File name: Pandora177s1_WestportCT_20240918_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T070824.0Z 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_20240918_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: 20240918 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 20240918T133215.6Z 9027.564070 305 1 47.43 2 59.07 118.79 116.16 295.36 0.00 1 0.00 1 0 25 2.493e-02 1.234e-02 1.691e-02 4.298e-03 2.417682e-01 2.248866e-03 2.997942e-03 -6.000000e+00 1.491599e-02 228.81 -2.00 3.51 -2.00 317.99 0.00e+00 1.496920e-03 3.863716e-04 7.834521e-04 -6.000000e+00 6.667707e-04 287.32 -2.00 20.00 -2.00 317.15 0.00e+00 1.938 0.000 302.00 328.00 3 5.4462e+00 6.0226e-03 2.3126e-02 -6.0000e+00 3.7078e-02 2.0209e-02 6.8046e-03 1.2711e-02 -6.0000e+00 4.0033e-02 4.2780e-03 4.2088e-03 6.2632e-03 -6.0000e+00 2.3892e-02 -1.3750e-02 2.1158e-03 1.8072e-03 -6.0000e+00 1.0236e-02 2.4750e-04 3.7244e-04 1.3598e-04 2.0214e-05 -6.0000e+00 7.3394e-04 8.4776e-03 0.0000e+00 12 8 8 10 0 0 88.90 23.25 0.43 0.00848 0.01128 13 3 1 5 0 3647.830 26.62 20.01 23.25 24.43 26.0 1016.18 8158 -3220 -10596 1708 -3954 -8970 -403 1966 -4274 -5830 -7770 -1447 311 -1259 3511 -1285 4190 252 934 1064 -2533 4890 1220 3400 -623 546 2277 -3550 217 548 3944 -460 1379 -4923 -4683 -4667 -6376 -1264 110 -146 -1153 159 -1088 858 1240 -835 -980 -436 -955 -915 2481 1651 2046 273 -142 -221 682 -67 -698 168 1881 2018 2948 3042 711 -1437 -2210 -761 3287 528 2392 1221 1875 787 -97 -1381 -4034 -4059 -2512 -2649 -2138 -2576 -2078 -1587 367 315 1016 1625 1940 1245 31 -1404 -1468 -784 -1543 -685 1218 1003 404 -311 -2417 -1731 -1447 -970 -1467 -1709 -1083 -603 1275 1579 1848 834 705 -570 61 -761 -784 165 561 1194 538 991 1062 212 813 -797 -1150 256 77 -1165 -496 -1391 -436 680 153 28 665 909 35 -52 -412 -1084 660 -310 -1085 143 -321 -749 -33 178 -444 -628 -857 -159 38 -180 536 -221 712 46 177 207 -516 925 245 749 -150 132 523 -820 46 117 867 -115 356 -1340 -1219 -1231 -1913 -428 43 -65 -555 79 -556 433 624 -425 -490 -211 -460 -450 1248 894 1163 164 -88 -139 429 -42 -436 105 1214 1405 2181 2323 538 -1027 -1493 -513 2333 428 2032 1075 1614 652 -74 -970 -2678 -2664 -1749 -2074 -1852 -2430 -2067 -1662 403 370 1238 1998 2339 1439 33 -1394 -1365 -729 -1555 -757 1458 1301 542 -408 -2989 -1984 -1639 -1154 -1877 -2313 -1521 -882 1937 2529 2855 1373 1102 -834 82 -1000 -1047 231 836 1852 849 1527 1580 305 1107 -1047 -1476 334 108 -1754 -769 -2217 -710 1149 275 51 1268 1749 69 -99 -751 -1934 SS 20240918T133752.5Z 9027.567969 308 1 38.38 2 58.15 120.04 117.05 296.49 0.00 1 0.00 1 0 17 2.181e-02 1.220e-02 1.228e-02 3.595e-03 2.317558e-01 1.881408e-03 2.841648e-03 -6.000000e+00 1.304919e-02 228.81 -2.00 3.51 -2.00 317.68 0.00e+00 1.398701e-03 2.994877e-04 6.603788e-04 -6.000000e+00 5.832599e-04 287.32 -2.00 20.00 -2.00 316.86 0.00e+00 1.888 0.000 302.00 328.00 3 5.1786e+00 5.0063e-03 2.2358e-02 -6.0000e+00 3.2438e-02 5.6325e-03 5.6391e-03 1.2020e-02 -6.0000e+00 3.5021e-02 7.1129e-03 3.4187e-03 5.9121e-03 -6.0000e+00 2.0901e-02 -1.0709e-02 1.6923e-03 1.7151e-03 -6.0000e+00 8.9557e-03 3.4724e-04 6.5629e-04 1.1282e-04 1.8731e-05 -6.0000e+00 6.4197e-04 7.3984e-03 0.0000e+00 12 9 9 12 9 1 99.92 23.25 0.19 0.00740 0.01233 13 4 1 5 0 2740.520 26.62 20.00 23.25 24.46 26.0 1015.96 -442 4516 -3770 -1098 -6539 -6560 -3623 1769 -3383 -848 -9385 -3077 3002 -3915 4629 -1110 2921 -321 961 1910 3296 340 -446 3175 -169 1941 -2867 489 272 -523 664 -1891 521 -5936 -5105 -5990 -3264 -2137 -704 245 -309 -716 201 628 476 1201 -524 -300 -1863 585 445 584 1129 995 1382 1045 865 -1038 -315 -824 1859 2358 3501 2706 -359 -221 -1597 -1324 2331 1975 844 1290 1787 1490 -423 -1782 -2991 -3563 -2561 -2529 -2836 -1922 -1960 -1138 -255 526 1040 1486 1949 1013 -180 -1733 -2341 -529 -604 -284 452 1937 336 -609 -1558 -2098 -1222 -386 -1734 -1704 -1315 -815 1079 1650 1646 1371 220 -573 -263 -1139 23 -16 821 338 708 934 1861 840 420 16 -1317 202 -183 -478 -746 -1021 36 -19 296 -58 674 675 114 137 -490 -1414 -44 452 -404 -113 -649 -638 -369 191 -415 -103 -1248 -406 421 -675 820 -223 587 -69 212 429 737 78 -106 764 -44 502 -754 118 63 -122 163 -516 146 -1751 -1431 -1717 -1019 -784 -300 116 -158 -382 109 339 258 640 -278 -155 -963 301 243 339 686 627 890 689 575 -696 -207 -551 1272 1732 2725 2189 -290 -164 -1127 -943 1756 1657 765 1192 1618 1290 -344 -1322 -2066 -2445 -1873 -2073 -2592 -1886 -2038 -1164 -277 604 1245 1798 2309 1153 -203 -1808 -2298 -513 -630 -326 533 2430 441 -780 -1988 -2515 -1441 -477 -2180 -2258 -1813 -1169 1607 2579 2651 2188 337 -815 -369 -1557 31 -22 1187 516 1088 1404 2678 1170 597 21 -1759 273 -266 -694 -1122 -1570 56 -31 512 -105 1242 1260 214 250 -865 -2451 SS 20240918T134255.0Z 9027.571470 311 1 48.50 2 57.33 121.17 117.84 297.52 0.00 1 0.00 1 0 25 1.831e-02 1.168e-02 3.619e-03 1.180e-03 2.290198e-01 6.151584e-04 2.780691e-03 -6.000000e+00 1.095883e-02 228.81 -2.00 3.51 -2.00 317.41 0.00e+00 1.184335e-03 9.186029e-05 4.985438e-04 -6.000000e+00 4.898432e-04 287.32 -2.00 20.00 -2.00 316.59 0.00e+00 1.846 0.000 302.00 328.00 3 3.6760e+00 1.6229e-03 2.1894e-02 -6.0000e+00 2.7241e-02 3.4930e-03 1.8209e-03 1.1781e-02 -6.0000e+00 2.9411e-02 4.3221e-03 1.0940e-03 5.7684e-03 -6.0000e+00 1.7553e-02 -1.0894e-02 5.4097e-04 1.6478e-03 -6.0000e+00 7.5208e-03 1.6375e-03 4.0663e-04 3.6818e-05 1.8532e-05 -6.0000e+00 5.3917e-04 7.7267e-03 0.0000e+00 12 9 8 11 8 0 98.07 23.26 0.29 0.00773 0.01078 75 17 1 5 0 646.500 26.62 20.01 23.26 24.58 26.0 1017.44 63 2681 -1473 -3943 -6447 -4426 -1709 -1309 -595 -4747 -4893 -4993 -1710 -1270 -178 9 -213 2015 1454 2447 711 1605 2400 1921 1238 90 -948 -1269 -809 -424 2153 141 686 -3938 -5859 -5112 -3749 -969 -428 -847 -758 107 116 203 1090 396 128 -691 -360 -88 1700 778 1292 954 688 1654 135 -243 -559 758 1711 2500 2864 2116 -132 -1458 -1397 -704 1990 1178 1000 1676 1116 1247 -233 -1530 -3211 -2784 -2042 -2078 -2543 -2589 -2955 -1441 -222 359 1391 1109 1846 1249 466 -1243 -1775 -399 -739 -62 788 1524 386 -609 -1835 -2109 -1080 -691 -1657 -1817 -1006 -581 1053 1530 1609 872 511 -106 -427 -378 -84 260 891 556 638 731 1213 597 822 -904 -405 401 -108 -348 -1059 -1266 -445 61 259 191 749 807 620 -98 -578 -1562 7 325 -183 -464 -712 -468 -190 -162 -79 -669 -692 -746 -278 -236 -37 2 -49 467 351 602 180 402 609 515 351 26 -270 -343 -207 -108 569 41 209 -1245 -1810 -1587 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