File name: Pandora177s1_WestportCT_20240503_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240811T133324.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 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_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20240503_L1_smca1c3d20221101p1-8.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: 20240503 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20240503T121726.4Z 8889.512111 178 1 47.62 2 63.30 91.83 53.20 167.40 0.00 1 0.00 1 0 17 8.375e-02 1.363e-02 7.098e-02 9.854e-03 3.150932e-01 5.155968e-03 3.810611e-03 -6.000000e+00 5.025442e-02 230.17 -2.00 3.51 -2.00 319.03 0.00e+00 2.818397e-03 1.179233e-03 1.455745e-03 -6.000000e+00 2.207445e-03 282.30 -2.00 20.00 -2.00 318.26 0.00e+00 2.213 0.000 302.00 328.00 3 5.8813e+00 1.4372e-02 2.7771e-02 -6.0000e+00 1.2545e-01 5.8245e-02 1.6481e-02 1.6677e-02 -6.0000e+00 1.3610e-01 -2.0592e-03 1.0976e-02 8.7818e-03 -6.0000e+00 8.0945e-02 -7.1873e-03 5.5795e-03 3.1201e-03 -6.0000e+00 3.3406e-02 1.0552e-04 2.3765e-03 3.2692e-04 3.9236e-05 -6.0000e+00 2.5438e-03 6.3694e-02 1.5886e-04 12 8 8 10 0 0 99.89 23.05 0.21 0.06369 0.08155 16 4 1 5 0 2975.520 26.41 19.99 23.05 17.72 24.3 987.34 19552 -17125 -16176 -30741 -22669 -4263 -21824 764 -3385 -1728 69971 1485 5721 -12918 4510 4061 4805 1552 -8340 13024 5394 12968 1210 5431 115 1209 7665 -4551 -10061 -11640 -4275 1503 -8424 -3154 -13631 -2328 -7086 2419 -627 -4204 1269 -2756 1671 -1344 1296 -1309 1342 -126 7324 4032 3014 -379 785 4055 1130 1579 2386 -2196 353 829 460 1800 5326 1810 148 -995 869 1662 656 2784 782 1556 916 -1361 -2561 1208 -3005 -3342 -3294 -4135 -1222 -1529 -880 -2040 -318 -183 1606 726 1158 1695 -491 -1132 -3509 -1005 -1133 -236 127 1295 -262 -1148 -565 -2120 -1047 -782 -1468 -398 -616 -1020 854 1818 1438 876 845 -653 -973 -101 174 1863 -21 218 190 -41 2504 452 -284 288 224 1411 -1164 -1355 -1529 -282 -897 498 -170 -341 972 1016 589 358 -753 -1995 541 716 -977 -913 -1883 -1184 -182 -1193 37 -185 -95 1933 88 378 -1210 406 402 502 176 -1092 1424 645 1441 155 701 16 173 1075 -694 -1579 -1902 -707 259 -1705 -606 -2821 -437 -1557 573 -180 -1414 438 -1037 617 -517 489 -506 501 -47 2548 1495 1203 -168 365 1899 561 797 1203 -1148 178 421 247 1031 3180 1167 96 -608 495 957 418 1925 589 1192 694 -1001 -1754 721 -1740 -1940 -2072 -2959 -950 -1299 -791 -1964 -321 -196 1769 818 1278 1773 -486 -1033 -3098 -878 -1071 -246 146 1596 -339 -1458 -661 -2343 -1205 -938 -1763 -500 -811 -1417 1240 2783 2295 1402 1294 -946 -1413 -141 244 2712 -33 333 312 -67 3803 672 -406 390 297 1910 -1737 -2169 -2557 -479 -1584 910 -330 -689 1986 2095 1212 718 -1462 -3798 1008 SS 20240503T123247.0Z 8889.522766 190 1 48.45 2 60.41 94.43 52.62 171.96 0.00 1 0.00 1 0 17 4.326e-02 1.086e-02 2.307e-02 4.209e-03 2.922825e-01 2.189712e-03 3.456320e-03 -6.000000e+00 2.595184e-02 230.17 -2.00 3.51 -2.00 318.66 0.00e+00 1.953167e-03 4.506933e-04 9.633204e-04 -6.000000e+00 1.140616e-03 282.30 -2.00 20.00 -2.00 317.89 0.00e+00 2.016 0.000 302.00 328.00 3 4.9913e+00 5.9933e-03 2.5315e-02 -6.0000e+00 6.4780e-02 3.8686e-02 6.8449e-03 1.5131e-02 -6.0000e+00 7.0290e-02 5.9539e-03 4.3957e-03 7.6954e-03 -6.0000e+00 4.1804e-02 -1.1497e-02 2.2038e-03 2.5121e-03 -6.0000e+00 1.7245e-02 3.2567e-04 1.6550e-03 1.3733e-04 2.9097e-05 -6.0000e+00 1.3144e-03 6.3975e-02 5.1610e-05 12 8 8 10 0 0 99.97 23.03 0.43 0.06398 0.07641 38 9 1 5 0 1274.730 26.41 19.99 23.03 17.97 24.3 988.74 -6007 12473 -9556 4478 -13888 20766 -14258 2581 2749 -20004 -14133 -14534 -5270 -4814 5844 -1225 4883 4664 -7357 6365 -4537 5062 163 3085 1986 -2356 -3145 -1802 -3731 -3392 2195 -1292 3881 -4012 -1076 -4525 -2541 2533 -2647 1322 -2284 322 -655 1847 -650 503 324 -1524 -1519 -1041 2984 129 1784 1268 1700 1724 815 225 -1323 201 1406 4113 2715 2245 -48 -508 151 -1302 3800 1129 1024 1011 1233 482 -330 -1029 -2828 -1543 -2290 -1716 -3753 -2021 -3017 -954 -73 358 1727 269 1533 207 484 -559 -201 -366 -415 -106 83 975 -326 -158 -2238 -1510 -309 -417 -1674 -1464 -1031 -1333 1402 1308 1472 459 121 -498 -343 -35 -566 686 757 683 274 1277 1017 792 228 -684 -375 509 206 -764 -959 -663 137 -221 144 42 596 740 374 67 -528 -859 -469 -373 691 -657 250 -862 895 -940 161 185 -1735 -1178 -1309 -496 -526 652 -160 633 634 -1176 916 -738 751 26 504 345 -434 -570 -308 -630 -580 383 -256 775 -866 -218 -965 -593 666 -863 467 -905 130 -274 760 -275 210 133 -630 -626 -439 1284 61 881 655 900 933 448 123 -728 110 799 2458 1771 1529 -33 -326 97 -809 2455 830 806 815 976 366 -248 -705 -1827 -978 -1578 -1322 -3293 -1778 -2854 -936 -76 393 1960 314 1740 227 522 -558 -188 -347 -423 -119 97 1221 -428 -201 -2700 -1796 -358 -505 -2187 -1891 -1387 -1886 2050 2033 2367 743 187 -723 -493 -49 -798 1006 1178 1041 424 2041 1573 1178 325 -939 -500 693 302 -1206 -1579 -1117 236 -377 257 78 1133 1418 717 125 -953 -1608 -877 SS 20240503T141135.1Z 8889.591378 261 1 49.91 2 42.42 114.53 54.33 201.56 0.00 1 0.00 1 0 17 4.132e-02 1.686e-02 3.342e-02 1.164e-02 2.186523e-01 6.196135e-03 2.656548e-03 -6.000000e+00 2.523194e-02 230.18 -2.00 3.51 -2.00 317.30 0.00e+00 1.315605e-03 8.659455e-04 4.396676e-04 -6.000000e+00 1.096890e-03 282.31 -2.00 20.00 -2.00 316.57 0.00e+00 1.353 0.000 302.00 328.00 3 6.9585e+00 1.6336e-02 1.7737e-02 -6.0000e+00 6.3018e-02 8.2080e-02 1.8275e-02 1.1205e-02 -6.0000e+00 6.7977e-02 -9.1047e-03 1.0875e-02 5.5392e-03 -6.0000e+00 4.0406e-02 -6.7396e-03 5.2390e-03 1.6778e-03 -6.0000e+00 1.7135e-02 9.6927e-05 7.3172e-04 3.7376e-04 1.9068e-05 -6.0000e+00 1.2590e-03 6.5779e-02 -1.6596e-04 12 9 8 11 8 0 99.86 22.96 0.94 0.06578 0.07128 17 4 1 5 0 2935.080 26.32 20.00 22.96 19.27 24.4 998.27 20639 8435 10196 4525 -13812 -926 -1729 -8925 -20084 -8584 5286 1036 -4881 -2459 -865 -10405 -849 2808 -1790 2338 4453 6456 3388 4898 -3157 -3610 -1028 3552 25 7512 -3230 -1948 4435 -8041 -9299 -1432 2591 -2464 2163 3206 -3141 3327 -1900 1512 -920 110 -527 -3322 2620 1940 2591 2540 3134 31 1667 412 2114 -2560 -2068 1496 3422 2066 2532 1782 -1546 -2423 -759 126 5045 -750 -551 2812 560 2438 708 -4398 -904 -5371 -2034 -3402 -1550 -2295 -2487 -213 -734 1072 587 1912 1894 932 1978 -420 -2779 -1402 29 -1209 289 -56 -170 -973 -3731 -1232 231 -985 -3226 -1574 -945 265 973 2163 2234 754 359 388 1060 -1769 968 572 -612 42 241 597 1222 1030 -332 1490 208 -1243 67 361 -253 -1869 39 -472 320 1167 961 310 841 -214 -754 -2435 900000 2255 1095 1273 552 -1852 -106 -215 -1324 -3563 -1377 739 159 -887 -496 -190 -2680 -206 678 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