File name: Pandora177s1_WestportCT_20240607_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T184803.2Z 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_20240607_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: 20240607 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 20240607T104533.2Z 8924.448302 82 1 48.70 2 76.44 71.40 82.51 59.52 0.00 1 0.00 1 0 25 2.218e-01 1.161e-02 8.511e-02 1.846e-03 5.498466e-01 1.028317e-03 7.768032e-03 -6.000000e+00 1.344554e-01 232.52 -2.00 3.51 -2.00 320.92 0.00e+00 4.013156e-03 4.511855e-04 7.329864e-03 -6.000000e+00 5.895317e-03 285.89 -2.00 20.00 -2.00 320.29 0.00e+00 4.163 0.001 302.00 328.00 3 1.4465e+00 3.3968e-03 6.1071e-02 -6.0000e+00 3.3746e-01 -3.8583e-02 4.4379e-03 5.2820e-02 -6.0000e+00 3.6350e-01 -1.4445e-02 4.2243e-03 2.3724e-02 -6.0000e+00 2.1606e-01 -3.2439e-03 2.0558e-03 5.0865e-03 -6.0000e+00 9.1674e-02 1.0865e-03 1.4418e-03 5.8118e-05 1.5382e-04 -6.0000e+00 6.5364e-03 1.5189e-02 0.0000e+00 12 9 8 11 8 0 93.48 23.43 0.34 0.01519 0.02602 223 51 1 5 0 218.340 26.73 20.00 23.43 24.57 25.1 1032.85 -33157 -77910 -40068 -90141 -82096 -47445 -92661 -14745 -92540 -60653 -86848 -55320 -29295 -32459 -28575 -23643 -3251 -21803 -18018 -26663 -9249 -26120 -17828 -13626 -11546 -13567 -21175 -15293 -23428 -16759 -9983 -6067 -7101 -10630 -7116 -13485 -4748 -7309 506 -3754 -972 -2024 2215 3332 1401 477 -77 517 -1756 694 1079 3536 1749 3079 1863 1949 -141 -1524 -148 -140 2620 3532 5823 4062 1369 72 -1404 506 2223 2949 2288 2179 1439 745 -825 -2894 -4839 -4613 -2922 -2585 -2076 -2096 -2457 -715 69 1586 2041 2224 1634 1307 -56 -1682 -2496 -1344 -696 -256 1308 1375 790 -975 -2105 -2637 -787 -273 -1759 -1793 -1441 -313 1174 1722 1162 582 14 -1079 -999 -762 183 578 1278 448 916 1207 1722 699 94 -1332 -1147 321 -390 -595 -1370 -1600 -471 -105 334 201 1106 1077 790 -42 -516 -1040 -144 -596 -216 -771 -616 -256 -876 -73 -1097 -555 -1120 -614 -316 -458 -472 -429 -54 -474 -405 -688 -205 -701 -465 -370 -329 -407 -683 -461 -787 -583 -383 -262 -342 -541 -344 -722 -268 -515 40 -354 -98 -220 241 367 161 57 -10 71 -258 107 184 652 356 660 389 459 -34 -373 -35 -34 662 988 1778 1358 475 24 -481 181 882 1303 999 1060 686 335 -344 -1128 -1852 -1856 -1318 -1357 -1242 -1276 -1616 -493 50 1214 1627 1790 1298 993 -44 -1255 -1847 -1047 -557 -234 1337 1549 933 -1136 -2274 -2630 -753 -272 -1902 -2053 -1738 -401 1631 2611 1888 968 23 -1684 -1478 -1105 270 899 2082 753 1513 1921 2634 1043 136 -1874 -1613 478 -652 -1097 -2711 -3325 -1021 -241 746 468 2605 2555 1853 -95 -1206 -2351 SS 20240607T110531.9Z 8924.462175 88 1 48.81 2 72.85 74.38 79.34 62.36 0.00 1 0.00 1 0 25 2.213e-01 2.148e-02 2.379e-01 1.433e-02 4.487385e-01 7.916174e-03 5.904567e-03 -6.000000e+00 1.349052e-01 232.52 -2.00 3.51 -2.00 320.43 0.00e+00 6.747828e-03 2.883684e-03 3.911522e-03 -6.000000e+00 6.187023e-03 285.90 -2.00 20.00 -2.00 319.74 0.00e+00 3.340 0.001 302.00 328.00 3 5.0542e+00 2.4425e-02 4.3473e-02 -6.0000e+00 3.3978e-01 7.0047e-02 2.9846e-02 2.9442e-02 -6.0000e+00 3.6672e-01 -7.5783e-02 2.4492e-02 1.7936e-02 -6.0000e+00 2.1643e-01 2.9729e-02 1.2283e-02 7.1893e-03 -6.0000e+00 9.2167e-02 6.7597e-05 8.1403e-04 4.6702e-04 1.1926e-04 -6.0000e+00 6.6487e-03 1.7753e-02 0.0000e+00 12 8 8 10 0 0 99.95 23.50 0.26 0.01775 0.02387 28 6 1 5 0 1743.030 26.83 20.00 23.50 25.97 25.0 1040.56 900000 -74229 -75918 65674 -67104 742 32069 900000 -130352 900000 -12670 -66212 -33040 -30849 39792 -38898 18886 369 22365 17614 31677 -46477 60712 -44114 -7788 17089 4123 15661 43208 12733 271 31 -13814 19809 364 5872 33822 -3888 -3344 6627 9307 -4632 -9706 20123 12156 7405 16085 5959 8596 15977 -1250 8343 -8053 -7373 -5403 10979 10008 2051 3303 -5115 613 976 3874 72 5746 2729 -1495 2440 3845 6346 2061 963 -3539 4565 -2152 -7072 -18 -3879 520 -2041 -4512 -6541 -2944 1479 -1673 737 994 4448 -1619 2794 1602 -1261 -1365 -2495 -2033 -1466 2558 918 3531 -4234 -859 -2683 -3182 852 -1325 60 -2992 475 137 2386 1149 1206 -1344 -866 -298 -967 -1241 540 1964 -496 475 1154 2758 1139 1723 -266 -326 -4 -1219 -219 -2145 -983 -1344 267 982 17 1755 1964 956 -705 -876 -2627 900000 -1958 -2061 917 -1543 10 448 900000 -7065 900000 -229 -2338 -1031 -1165 882 -2140 636 16 827 709 1119 -3588 1645 -3587 -460 800 217 720 1526 659 18 2 -1327 1367 30 463 2420 -457 -461 936 1391 -841 -1921 3213 2143 1389 2793 1159 1673 3053 -309 2038 -2480 -2368 -1759 3104 2873 630 992 -1700 205 360 1531 32 2351 1095 -608 997 1728 3101 1122 540 -2020 2258 -1040 -3264 -7 -1702 245 -1138 -2921 -4749 -2204 1124 -1400 641 900 3939 -1494 2348 1263 -948 -993 -1918 -1730 -1407 2657 1063 4129 -5172 -932 -2732 -3405 918 -1558 69 -3731 609 192 3531 1812 1914 -2109 -1354 -436 -1393 -1837 830 3150 -839 790 1849 4198 1695 2439 -367 -446 -6 -1961 -379 -3991 -1875 -2689 555 2144 39 4031 4533 2201 -1589 -1879 -5524 SS 20240607T111116.6Z 8924.466164 92 1 19.19 2 71.80 75.23 78.41 63.16 0.00 1 0.00 1 0 25 9.154e-02 1.219e-02 8.345e-02 4.825e-03 4.329562e-01 2.612750e-03 5.436994e-03 -6.000000e+00 5.550688e-02 232.52 -2.00 3.51 -2.00 319.81 0.00e+00 1.231466e-03 7.979776e-04 2.817958e-03 -6.000000e+00 2.433458e-03 285.90 -2.00 20.00 -2.00 319.10 0.00e+00 3.160 0.001 302.00 328.00 3 3.7701e+00 7.6126e-03 4.0840e-02 -6.0000e+00 1.3931e-01 -1.5951e-03 9.0953e-03 2.7845e-02 -6.0000e+00 1.5005e-01 1.9693e-02 7.3259e-03 1.3026e-02 -6.0000e+00 8.9191e-02 -2.0788e-02 3.7695e-03 3.2462e-03 -6.0000e+00 3.7852e-02 3.0595e-04 1.2454e-03 1.5135e-04 5.4897e-05 -6.0000e+00 2.6976e-03 1.3793e-02 0.0000e+00 12 9 9 12 1 1 99.08 23.51 0.45 0.01379 0.02315 13 8 1 5 0 1370.400 26.83 19.95 23.51 26.04 25.0 1041.21 6796 -1395 -25570 -30955 -46511 -40608 -8702 -37575 -6714 -28735 -5597 -16771 -18575 -13707 -17486 13756 -3702 7195 10214 3819 5089 -14411 6944 -8086 11740 -7170 -3313 -5175 -25267 1815 2767 -1741 -5924 -3356 -18374 -3825 74 -1386 4972 -1956 -1270 -2876 -57 -1613 5020 2782 398 -2494 916 1294 1603 3969 -1261 3266 -871 2079 -503 182 390 -1811 1212 2148 5371 2140 1097 -2020 -93 1314 1643 2607 1122 2985 375 620 -1890 -2480 -4342 -1601 -2346 -3680 -1618 -2053 -1462 -1629 801 1308 2145 2720 1405 2225 27 -2140 -2524 -1147 -921 216 327 1610 266 -889 -2176 -3135 -562 -655 -1681 -1307 -946 -125 745 1118 871 559 256 -125 -719 -324 -264 41 1006 421 1202 744 1276 868 411 -831 -465 203 -760 -444 -762 -1169 -924 114 29 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