File name: Pandora177s1_WestportCT_20240424_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T181138.9Z 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_20240424_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: 20240424 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 20240424T130158.8Z 8880.543041 297 1 49.95 2 56.97 101.99 122.49 274.34 0.00 1 0.00 1 0 25 1.785e-01 2.550e-02 1.860e-01 1.955e-02 3.519819e-01 1.037118e-02 4.408428e-03 -6.000000e+00 1.071925e-01 229.41 -2.00 3.51 -2.00 319.07 0.00e+00 8.374829e-03 2.361096e-03 1.472344e-03 -6.000000e+00 4.656438e-03 281.32 -2.00 20.00 -2.00 318.38 0.00e+00 1.828 0.000 302.00 328.00 3 6.9435e+00 2.8544e-02 2.6120e-02 -6.0000e+00 2.6742e-01 1.5575e-01 3.2686e-02 1.8222e-02 -6.0000e+00 2.8878e-01 -7.3642e-02 2.2572e-02 1.1622e-02 -6.0000e+00 1.7162e-01 1.6567e-02 1.1689e-02 7.6365e-03 -6.0000e+00 7.3127e-02 4.6382e-05 -3.3338e-04 6.1658e-04 7.9960e-05 -6.0000e+00 5.2533e-03 1.6336e-03 0.0000e+00 12 8 8 10 0 0 99.90 22.96 1.11 0.00163 -0.00087 20 5 1 5 0 2497.090 26.32 19.99 22.96 15.05 23.9 968.93 39846 111352 328 60968 -62789 66522 -9908 11502 -35238 7300 -12038 -47456 3147 -24986 61675 28334 -2544 4114 1681 21508 -35221 10838 -5449 32378 -1058 13724 -14416 -26789 12121 2730 9712 -25967 12677 -18130 19007 6361 -11157 18535 4023 3598 -2441 -2173 -306 15737 7745 5069 7284 14510 6305 -1148 728 3973 2590 -1042 6863 3397 -5889 5931 1697 -4939 -2705 7452 -555 1200 -492 1397 4146 -295 -2325 1365 1216 -849 851 970 13 -5408 -8287 -4415 -9239 -885 -8228 -1165 -1649 2526 2608 539 5146 1845 6453 -568 225 -4540 -2194 -3796 -1473 2649 323 901 -349 767 -4123 -3907 -710 -1686 -242 -2991 -507 -2133 777 89 2666 353 -598 111 -132 -1451 145 877 1568 476 640 1732 2793 2813 -719 1649 158 -2646 -538 787 -799 -1036 -668 1268 -293 301 -995 713 1298 431 -1202 -1847 1162 2122 16 1504 -4858 1426 -444 480 -2331 339 -688 -3991 202 -2590 3159 2262 -297 475 208 2255 -6546 1252 -740 3086 -145 1635 -2233 -4564 1386 358 1319 -5661 2024 -3953 2740 1038 -2379 3445 1011 1020 -794 -740 -106 4724 2556 1733 2430 4477 2118 -428 283 1609 1126 -488 3033 1679 -2996 2819 830 -2611 -1474 4005 -352 790 -326 854 2329 -175 -1539 968 924 -674 650 700 8 -3443 -5033 -2575 -6163 -617 -6942 -1001 -1513 2343 2568 576 5499 2070 6806 -612 222 -4304 -1910 -3401 -1400 2703 377 1142 -466 989 -5145 -4469 -763 -1903 -287 -3846 -665 -2992 1132 140 4269 580 -951 163 -194 -2080 207 1307 2466 787 1061 2768 4255 4109 -1038 2209 208 -3725 -802 1248 -1349 -1802 -1197 2338 -578 615 -2102 1494 2686 872 -2359 -3505 SS 20240424T135403.5Z 8880.579207 331 1 49.78 2 47.60 112.84 131.90 283.59 0.00 1 0.00 1 0 33 9.092e-02 2.127e-02 8.868e-02 1.547e-02 2.920370e-01 8.191239e-03 3.687058e-03 -6.000000e+00 5.454975e-02 229.42 -2.00 3.51 -2.00 318.40 0.00e+00 7.376054e-04 1.544076e-03 1.232941e-03 -6.000000e+00 2.371764e-03 281.32 -2.00 20.00 -2.00 317.67 0.00e+00 1.481 0.000 302.00 328.00 3 7.1455e+00 2.2021e-02 2.1708e-02 -6.0000e+00 1.3608e-01 7.1341e-02 2.4958e-02 1.5958e-02 -6.0000e+00 1.4699e-01 1.2918e-03 1.6189e-02 7.7365e-03 -6.0000e+00 8.7355e-02 -1.3007e-02 8.2551e-03 2.1287e-03 -6.0000e+00 3.7189e-02 6.1615e-05 5.3574e-04 4.9132e-04 2.2830e-05 -6.0000e+00 2.6763e-03 7.3367e-03 0.0000e+00 12 8 8 10 0 0 99.92 22.90 0.74 0.00734 0.01136 20 5 1 5 0 2488.900 26.32 20.00 22.90 16.26 24.0 976.42 -3812 14297 55605 -23245 42111 3725 35353 14616 -27958 -5778 -16642 -23395 -23488 -1025 9005 -5624 -6048 -7982 2112 -5776 9301 2004 -7288 3565 14279 -1115 -1170 440 -1171 -3849 -1297 12302 -3370 7618 4970 -3063 -14024 -4276 742 -4520 1944 -1631 5319 4522 7395 -3476 4806 2436 -4499 2206 810 958 -1545 3132 1922 7202 -1703 -1786 -4478 674 7607 1569 4593 2795 1133 -630 -5322 -1981 384 1818 2328 2895 -695 977 -4979 -1763 -5959 -5622 -3978 -5572 -2160 -1478 -855 777 1096 -377 3999 2148 1903 5069 -760 -2087 -2427 -2827 -694 -625 630 -490 -174 445 -2954 -4279 -1589 -1134 -1494 -1994 -1965 539 1940 773 1876 3091 481 825 -1898 -2374 -512 1106 1891 -647 2228 581 1721 -459 309 145 -1420 269 -605 981 -399 -1351 -1772 -556 333 -324 1574 1888 1027 -294 1 -3044 -254 850 2171 -1857 1607 205 1537 882 -2804 -477 -1551 -2492 -2856 -115 1039 -814 -923 -1296 322 -984 1465 340 -1395 649 2464 -228 -233 82 -212 -722 -256 2320 -788 1588 1022 -690 -3941 -1298 253 -1837 799 -725 2247 1936 3075 -1600 1999 1018 -2003 942 373 472 -825 1660 1060 3851 -1002 -1039 -2635 379 4175 988 3023 1945 782 -439 -3656 -1335 278 1438 1957 2475 -605 793 -3936 -1215 -3950 -3681 -2769 -4439 -1855 -1371 -836 790 1183 -440 4665 2586 2255 5532 -810 -2053 -2248 -2655 -688 -687 756 -644 -236 578 -3666 -4988 -1774 -1322 -1866 -2638 -2712 759 2863 1225 3047 4927 749 1186 -2602 -3150 -676 1514 2733 -1000 3368 871 2462 -689 438 195 -1889 363 -885 1508 -646 -2258 -3070 -999 624 -636 3100 3743 2039 -575 3 -5658 SS 20240424T140232.6Z 8880.585099 337 1 48.72 2 46.14 114.84 133.40 285.26 0.00 1 0.00 1 0 17 1.888e-02 1.102e-02 1.906e-03 5.322e-04 2.700958e-01 2.809555e-04 3.222352e-03 -6.000000e+00 1.132880e-02 229.42 -2.00 3.51 -2.00 317.66 0.00e+00 1.436205e-03 4.356230e-05 4.989882e-04 -6.000000e+00 4.923686e-04 281.32 -2.00 20.00 -2.00 316.97 0.00e+00 1.441 0.000 302.00 328.00 3 2.5024e+00 7.4625e-04 2.0214e-02 -6.0000e+00 2.8262e-02 1.5725e-02 8.3661e-04 1.3795e-02 -6.0000e+00 3.0523e-02 5.2320e-04 5.1260e-04 6.8736e-03 -6.0000e+00 1.8140e-02 -7.4991e-03 2.5539e-04 2.0951e-03 -6.0000e+00 7.7260e-03 7.0846e-03 2.0471e-04 1.6523e-05 2.1760e-05 -6.0000e+00 5.5550e-04 4.4922e-03 0.0000e+00 12 8 8 10 0 0 99.57 22.93 0.34 0.00449 0.00603 425 98 1 5 0 114.620 26.32 19.99 22.93 16.13 24.0 975.58 191 -409 -786 -4812 -4339 -4984 -2054 -1893 -2881 -6669 -7583 -5141 -2581 88 85 382 -16 1890 1535 2513 638 944 1300 1592 1508 124 -1211 -2018 -1382 -877 1408 1329 352 -3656 -5864 -4542 -3831 -998 -505 -820 -858 -85 313 248 1200 470 198 -344 -478 292 1309 1138 1368 1206 617 1417 326 -239 -437 306 1402 2407 2915 2168 141 -1304 -1320 -589 2000 1321 1043 1441 1001 1172 -391 -1415 -2777 -3025 -1881 -2247 -2419 -2528 -2811 -1547 -220 360 1285 1217 1577 1227 515 -816 -1538 -501 -549 -195 654 1334 275 -533 -1562 -1936 -704 -427 -1669 -1827 -1023 -722 933 1442 1346 857 516 -129 -489 -318 17 247 890 485 731 683 1128 656 763 -872 -545 529 -39 -310 -1017 -1177 -431 32 218 117 674 733 469 -102 -489 -1460 18 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