File name: Pandora55s1_QueensNY_20230521_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240123T141437.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230521_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230521 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20230521T130811.7Z 8541.547358 144 1 51.98 2 51.41 95.98 65.96 74.66 0.00 1 0.00 1 0 25 5.884e-02 1.209e-02 9.504e-03 2.324e-03 3.262538e-01 1.225171e-03 3.843657e-03 -6.000000e+00 3.542008e-02 231.47 -2.00 3.51 -2.00 317.72 0.00e+00 -4.038493e-05 1.984964e-04 9.016602e-05 -6.000000e+00 1.559159e-03 284.25 -2.00 20.00 -2.00 316.95 0.00e+00 1.600 0.000 302.00 328.00 3 5.3865e+00 3.2765e-03 2.3627e-02 -6.0000e+00 8.8666e-02 -3.4495e-02 3.6864e-03 1.6932e-02 -6.0000e+00 9.5806e-02 -8.0378e-03 2.2731e-03 8.2645e-03 -6.0000e+00 5.6957e-02 2.2068e-03 1.1290e-03 2.2723e-03 -6.0000e+00 2.3937e-02 3.1991e-04 2.4573e-04 7.2053e-05 2.7579e-05 -6.0000e+00 1.7693e-03 1.4644e-02 0.0000e+00 12 9 8 11 36 0 87.75 22.72 0.27 0.01464 0.01649 14 3 1 5 0 3711.950 26.00 20.02 22.72 21.49 34.6 1069.65 -23526 11944 -25828 4295 17305 -11211 28622 2352 -6439 -11577 -18456 -10785 -5985 17863 -4974 -11143 6416 14770 9963 11541 3780 1809 3500 -3093 -1850 1694 -1657 -3473 -4283 -2185 3978 703 -8355 -1414 1541 -4115 -6141 2942 1684 -2472 1989 -3102 -1364 -845 4388 -3610 4124 247 2587 73 -451 -2014 3901 1166 935 4305 865 2611 413 1723 2731 1909 -1524 633 -3326 1734 -779 1030 1107 -1085 1000 326 -1346 1188 -1002 504 2218 -30 -714 -1367 576 -1150 -1078 -2193 -1040 -1564 -750 -869 -499 -372 -412 472 1311 439 1187 -82 388 -230 -1214 -386 -522 -400 1241 524 -728 -305 -865 155 1115 660 -711 461 -50 -280 321 665 1188 -11 58 -1434 -230 446 965 121 -88 92 457 427 38 1124 445 533 324 811 -408 210 100 -155 -965 -461 -374 -243 -314 -2324 891 -2695 316 1066 -920 1776 209 -664 -1290 -2253 -1338 -810 2232 -854 -2167 1124 2505 1835 2152 768 378 750 -742 -461 416 -409 -837 -1010 -517 963 190 -2570 -410 424 -1218 -2039 1048 698 -1172 971 -1631 -721 -448 2241 -1948 2080 127 1314 39 -253 -1208 2346 745 613 2821 585 1738 277 1148 1864 1384 -1202 509 -2730 1318 -582 763 871 -936 898 301 -1247 1051 -856 397 1629 -22 -554 -1161 522 -1127 -1105 -2350 -1156 -1818 -898 -1058 -603 -438 -464 500 1322 442 1243 -92 470 -297 -1627 -512 -667 -486 1454 627 -915 -397 -1165 213 1583 980 -1101 716 -77 -415 454 906 1610 -15 84 -2172 -350 673 1429 175 -124 126 611 573 53 1631 671 822 509 1302 -681 360 175 -275 -1722 -811 -646 -409 -522 SS 20230521T133033.5Z 8541.562888 159 1 50.77 2 47.22 100.14 61.95 77.66 0.00 1 0.00 1 0 17 3.784e-02 9.549e-03 5.671e-03 1.894e-03 2.913223e-01 1.001698e-03 3.450207e-03 -6.000000e+00 2.277469e-02 231.47 -2.00 3.51 -2.00 317.13 0.00e+00 -7.576316e-04 1.383128e-04 6.343975e-05 -6.000000e+00 1.002615e-03 284.25 -2.00 20.00 -2.00 316.36 0.00e+00 1.470 0.000 302.00 328.00 3 5.1957e+00 2.6513e-03 2.1358e-02 -6.0000e+00 5.7011e-02 -3.4587e-02 2.9669e-03 1.5094e-02 -6.0000e+00 6.1604e-02 -5.9519e-04 1.7615e-03 7.3605e-03 -6.0000e+00 3.6624e-02 8.3262e-04 8.4727e-04 2.0677e-03 -6.0000e+00 1.5389e-02 4.6530e-04 2.4174e-04 5.8652e-05 2.5437e-05 -6.0000e+00 1.1377e-03 1.5512e-02 0.0000e+00 12 9 8 11 44 0 99.27 22.72 0.38 0.01551 0.01733 16 3 1 5 0 3172.370 26.00 20.00 22.72 21.36 34.6 1067.72 -13770 23323 -15317 -3178 7482 -5230 18157 -834 -1683 -6529 -4686 -7213 -1933 5520 -1333 -5723 2136 9843 3342 6168 -77 2769 -4409 350 -46 300 -1103 -2648 -143 -539 3178 -446 -4821 -1784 5095 -1961 -3139 1367 1667 -1837 812 -1917 -2119 -494 -1256 -2299 764 -106 1864 -222 -409 -1033 2406 1511 1120 2794 1453 1825 1050 1500 2796 1176 -737 -245 235 808 -927 1190 621 -511 -168 305 -1122 782 -286 176 1722 201 -522 -924 254 -1642 -1038 -1980 -1022 -1120 -682 -1015 -234 -207 -328 646 1033 1001 922 206 584 -415 -825 -495 -679 -254 1247 518 -496 -440 -610 225 448 376 -741 356 -339 -362 142 689 1059 418 37 -917 -408 140 716 41 77 -83 655 1081 128 679 513 543 395 551 -273 200 118 -140 -945 -414 -342 -236 -366 -1813 2289 -2087 -362 727 -582 1791 -109 -237 -989 -712 -1206 -346 1044 -296 -1399 509 2272 846 1559 -21 737 -1293 104 -14 95 -344 -801 -41 -157 952 -148 -1732 -624 1639 -683 -1212 585 809 -1007 463 -1148 -1290 -298 -764 -1398 449 -62 1072 -132 -255 -681 1610 1056 801 2019 1068 1333 764 1091 2073 927 -620 -211 201 658 -735 932 517 -460 -159 294 -1085 726 -255 146 1342 156 -423 -810 238 -1655 -1086 -2163 -1155 -1320 -828 -1254 -287 -248 -377 696 1063 1020 978 234 705 -533 -1094 -651 -863 -307 1460 620 -621 -572 -815 308 633 551 -1126 542 -511 -525 197 919 1405 569 53 -1350 -608 207 1040 58 107 -112 858 1414 173 960 749 809 596 851 -437 328 198 -237 -1618 -699 -567 -382 -587 SS 20230521T133609.8Z 8541.566780 162 1 50.56 2 46.17 101.24 60.94 78.42 0.00 1 0.00 1 0 25 2.859e-02 8.569e-03 4.573e-03 1.665e-03 2.843607e-01 8.814079e-04 3.384718e-03 -6.000000e+00 1.721042e-02 231.47 -2.00 3.51 -2.00 316.95 0.00e+00 -7.624741e-05 1.166459e-04 6.796846e-05 -6.000000e+00 7.576433e-04 284.25 -2.00 20.00 -2.00 316.20 0.00e+00 1.442 0.000 302.00 328.00 3 4.9946e+00 2.3267e-03 2.0914e-02 -6.0000e+00 4.3082e-02 -2.7229e-02 2.5997e-03 1.4748e-02 -6.0000e+00 4.6553e-02 8.4206e-04 1.5311e-03 7.1900e-03 -6.0000e+00 2.7676e-02 -2.0919e-03 7.2976e-04 1.9705e-03 -6.0000e+00 1.1630e-02 5.8828e-04 2.7058e-04 5.1495e-05 2.5097e-05 -6.0000e+00 8.5975e-04 1.5321e-02 0.0000e+00 11 9 0 11 44 0 99.74 22.72 0.36 0.01532 0.01735 19 4 1 5 0 2660.410 26.00 20.01 22.72 21.49 34.7 1070.17 -10906 14192 -13601 -2570 3382 -4215 12145 -442 -2226 -7134 -6929 -3229 -669 6034 -791 -4665 813 5978 3841 3584 499 2066 320 -848 -1007 6204 -1001 -559 -1985 -668 2419 283 -4455 -1643 4110 -2288 -1806 744 120 -2505 -117 -2025 -1530 -1109 979 -1544 802 -416 1029 -11 -259 -734 1905 1243 1084 2341 746 1125 1153 1660 1821 1132 832 -136 -1884 1224 -438 1150 1005 -836 455 -231 -1141 214 -604 491 1616 491 -539 -625 -185 -1365 -1161 -1521 -759 -1138 -542 -971 -209 -474 -167 219 1007 1259 1013 869 610 -117 -864 -295 -497 -145 997 171 -513 -350 -786 56 424 431 -451 114 -20 -260 318 786 650 285 -84 -862 -251 -10 551 18 -139 152 915 881 99 585 -127 706 122 425 -210 -38 272 -236 -730 -221 -411 -220 -68 -1540 1665 -2010 -321 377 -512 1389 -63 -343 -1173 -1161 -562 -128 1224 -188 -1214 210 1532 1037 992 143 592 96 -270 -334 1967 -330 -175 -611 -206 772 99 -1681 -604 1408 -840 -725 334 61 -1425 -69 -1252 -958 -694 605 -964 487 -251 616 -7 -166 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