File name: Pandora177s1_WestportCT_20231013_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T151158.9Z 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_20231013_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: 20231013 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 20231013T124032.7Z 8686.528156 110 1 48.91 2 73.35 116.67 61.07 121.49 0.00 1 0.00 1 0 25 1.960e-01 1.199e-02 1.348e-01 5.908e-03 4.084208e-01 3.153223e-03 5.248274e-03 -6.000000e+00 1.162401e-01 226.16 -2.00 3.51 -2.00 320.03 0.00e+00 3.772166e-03 1.022834e-03 2.759057e-03 -6.000000e+00 5.178541e-03 284.41 -2.00 20.00 -2.00 319.35 0.00e+00 3.435 0.001 302.00 328.00 3 3.9798e+00 9.2589e-03 4.1478e-02 -6.0000e+00 2.8745e-01 3.3804e-02 1.1168e-02 2.4947e-02 -6.0000e+00 3.1098e-01 -1.4867e-02 9.1499e-03 1.3680e-02 -6.0000e+00 1.8566e-01 -5.0060e-03 4.7026e-03 4.5627e-03 -6.0000e+00 7.9869e-02 1.9771e-04 3.7663e-04 1.8999e-04 6.9386e-05 -6.0000e+00 5.7635e-03 3.8481e-03 0.0000e+00 12 8 8 10 0 0 99.97 22.83 0.57 0.00385 0.00668 53 12 1 5 0 922.700 26.21 20.01 22.83 13.34 21.8 937.06 50239 -30492 43901 -65626 176690 -57815 -11421 -44750 -17681 -42058 -29447 -7672 -3885 -7138 -8375 9328 -2148 21745 -7425 7399 7776 1413 2141 -5630 10625 -15785 -4177 -11358 -10771 -16514 -4654 2744 3382 -126 -6982 -1868 -11340 -2971 -3876 -1012 -257 -1537 8532 -717 5320 -1828 1059 -1860 -3811 -1270 3574 4803 -383 4989 906 2129 -469 -1615 -338 -925 1330 2685 5196 1917 554 -2726 -712 -2049 4868 2345 1484 3811 317 735 -1544 142 -4164 -3192 -736 -817 -2322 -3223 397 -1630 212 49 1496 493 2199 1091 247 -1194 -3187 -619 -1104 -546 88 933 937 -935 -1733 -2815 -535 -1078 -1324 -1491 -1070 -529 705 1774 939 1237 115 -579 -509 -165 -658 -94 1136 -365 1156 844 1456 504 839 -564 -320 290 -476 -520 -1256 -713 -487 259 -161 -230 583 1146 1027 -191 -279 -1622 452 -681 474 -2008 1018 -1499 -201 -1241 -407 -1287 -827 -193 -113 -262 -368 386 -108 924 -446 400 426 83 129 -389 662 -1313 -305 -867 -811 -1385 -390 243 324 -13 -729 -188 -1409 -407 -638 -185 -51 -326 1693 -159 1126 -420 237 -431 -918 -334 968 1398 -126 1636 321 766 -175 -604 -123 -342 509 1113 2309 935 274 -1320 -325 -977 2400 1326 910 2339 198 432 -851 70 -2004 -1543 -384 -490 -1600 -2467 314 -1395 190 47 1479 500 2159 1034 219 -993 -2581 -503 -992 -551 99 1143 1198 -1186 -2045 -3091 -559 -1184 -1558 -1859 -1397 -728 1035 2786 1567 2078 188 -897 -740 -231 -944 -142 1792 -607 1892 1349 2235 752 1195 -779 -433 408 -739 -877 -2251 -1316 -935 520 -345 -512 1320 2604 2320 -424 -590 -3343 SS 20231013T125225.3Z 8686.536404 119 1 1.93 2 71.37 118.96 59.26 124.13 0.00 1 0.00 1 0 25 9.967e-02 1.618e-02 9.311e-02 1.114e-02 3.581427e-01 5.814119e-03 4.468345e-03 -6.000000e+00 5.912503e-02 226.15 -2.00 3.51 -2.00 318.70 0.00e+00 1.554636e-03 1.277290e-03 1.473346e-03 -6.000000e+00 2.633347e-03 284.41 -2.00 20.00 -2.00 317.98 0.00e+00 3.092 0.000 302.00 328.00 3 3.3527e+00 1.5800e-02 3.6186e-02 -6.0000e+00 1.4621e-01 -8.5478e-04 1.8117e-02 1.9573e-02 -6.0000e+00 1.5817e-01 7.5464e-03 1.2672e-02 9.6565e-03 -6.0000e+00 9.4429e-02 -8.4742e-03 6.6536e-03 2.7191e-03 -6.0000e+00 4.0632e-02 5.5887e-04 -3.0194e-05 3.4226e-04 3.2581e-05 -6.0000e+00 2.9307e-03 2.3267e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.83 0.50 0.00233 0.00210 1 12 1 5 0 964.170 26.21 20.00 22.83 13.57 21.8 938.41 -7477 -4540 12802 12454 -15231 46764 -50876 -17364 6330 -41208 -2178 -26055 54755 -3425 4021 -13791 13094 -7281 4133 730 -10709 -1082 -5634 12862 -461 7364 -11144 -11669 -6245 -11 6346 22000 4400 -3540 4604 -7806 -1863 -8322 1526 -3230 -234 2312 4007 4939 1980 -888 -516 1283 -1888 -4624 996 629 4370 -1186 5254 889 3182 -5059 733 -1279 3100 4933 5219 5097 -2169 -963 -3119 -2086 2402 284 3789 1307 1203 -796 191 -742 -1550 -4808 -2291 -1920 -3849 -1695 -3707 -566 -514 17 1512 1541 1731 -142 -149 -2007 -586 -2269 145 248 -469 1162 171 1729 -1882 -976 -1398 -990 -2439 -1003 -1007 265 2085 1200 1826 1234 920 -992 -60 -648 336 10 -151 942 599 193 1979 1206 -370 -538 -414 -17 -313 -297 -1626 -1241 -1500 -558 1152 622 1177 1070 119 261 -1609 -449 -284 -184 440 430 -607 1046 -3100 -859 287 -2959 -115 -1808 2099 -264 335 -1523 1185 -857 456 87 -1454 -134 -758 1537 -67 1017 -1822 -1845 -912 -2 981 3261 794 -698 811 -1578 -397 -2265 449 -1080 -83 842 1477 1829 762 -353 -203 494 -757 -1982 434 298 2133 -611 2633 479 1697 -2906 392 -703 1714 2920 3364 3473 -1503 -653 -2060 -1393 1693 218 3019 1097 996 -639 140 -520 -1020 -3274 -1662 -1506 -3316 -1570 -3746 -562 -545 19 1687 1749 1934 -161 -157 -2069 -564 -2266 148 282 -576 1474 229 2218 -2412 -1144 -1678 -1186 -3172 -1307 -1377 377 3007 1877 2869 1961 1412 -1508 -88 -920 480 15 -233 1502 963 305 2965 1823 -543 -755 -566 -24 -464 -477 -2670 -2093 -2632 -987 2115 1157 2231 2053 230 487 -3035 -807 SS 20231013T131747.4Z 8686.554020 138 1 33.53 2 67.31 124.08 55.61 130.10 0.00 1 0.00 1 0 25 2.381e-02 1.064e-02 1.687e-03 3.343e-04 3.077139e-01 1.744789e-04 3.736593e-03 -6.000000e+00 1.412199e-02 226.15 -2.00 3.51 -2.00 318.27 0.00e+00 1.738900e-03 3.321128e-05 8.021174e-04 -6.000000e+00 6.290996e-04 284.41 -2.00 20.00 -2.00 317.53 0.00e+00 2.571 0.000 302.00 328.00 3 2.9709e-01 4.6729e-04 3.0121e-02 -6.0000e+00 3.4923e-02 2.2729e-02 5.2980e-04 1.5913e-02 -6.0000e+00 3.7781e-02 -4.7841e-03 3.4324e-04 8.0006e-03 -6.0000e+00 2.2555e-02 -6.2673e-03 1.7746e-04 2.4495e-03 -6.0000e+00 9.7036e-03 2.0852e-02 1.4098e-04 1.0353e-05 2.7142e-05 -6.0000e+00 7.0016e-04 3.4862e-03 0.0000e+00 12 9 9 12 1 1 99.75 22.83 0.31 0.00349 0.00455 917 306 1 5 0 36.480 26.21 19.99 22.83 14.25 21.9 944.21 -1709 -2049 -2685 -6761 -6870 -7716 -5444 -4637 -6028 -8688 -9922 -7060 -4458 -1577 -144 -225 201 1479 1802 2097 724 596 1466 1168 856 -609 -2147 -2465 -2112 -1371 1075 1402 598 -3689 -5735 -4910 -3786 -1073 -133 -736 -639 -42 353 403 1201 781 215 -233 -709 427 1354 1329 1390 1152 631 1332 302 -285 -370 151 1403 2562 2945 2297 226 -1138 -1156 -478 1944 1433 1026 1403 883 979 -364 -1469 -2556 -3059 -1808 -2224 -2193 -2451 -2798 -1656 -383 299 1241 1218 1561 1267 609 -652 -1360 -516 -515 -210 616 1268 396 -605 -1546 -2029 -702 -370 -1615 -1892 -1065 -798 750 1270 1203 699 328 -208 -458 -219 221 358 1066 463 701 759 1261 723 706 -784 -660 513 -86 -351 -1002 -1151 -407 75 278 109 722 766 523 -151 -523 -1439 -105 -136 -180 -442 -414 -459 -341 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