File name: Pandora177s1_WestportCT_20240917_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240918T053200.0Z 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_20240917_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: 20240917 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 20240917T140439.0Z 9026.586562 326 1 48.72 2 53.68 125.93 134.36 308.82 0.00 1 0.00 1 0 25 5.253e-02 1.821e-02 4.086e-02 1.242e-02 2.149596e-01 6.475392e-03 2.573493e-03 -6.000000e+00 3.144561e-02 228.91 -2.00 3.51 -2.00 317.68 0.00e+00 1.856661e-03 1.017525e-03 5.250273e-04 -6.000000e+00 1.405680e-03 287.44 -2.00 20.00 -2.00 316.85 0.00e+00 1.684 0.000 302.00 328.00 3 5.5872e+00 1.7175e-02 2.0082e-02 -6.0000e+00 7.8184e-02 5.1999e-02 1.9358e-02 1.0882e-02 -6.0000e+00 8.4403e-02 4.5196e-04 1.1691e-02 5.4311e-03 -6.0000e+00 5.0371e-02 -8.6319e-03 5.7479e-03 1.7922e-03 -6.0000e+00 2.1582e-02 2.8372e-04 5.8980e-04 3.9098e-04 1.7816e-05 -6.0000e+00 1.5465e-03 1.1634e-02 0.0000e+00 12 8 8 10 0 0 99.91 23.33 1.04 0.01163 0.01607 31 7 2 5 0 1571.230 26.73 20.00 23.33 25.17 26.0 1021.24 5406 4 -3165 9641 -11450 35132 -1337 -1605 -10500 -15781 -20157 -8783 -2871 4107 10237 10079 12413 -4805 496 -1595 -7348 7014 -4170 1318 1515 1165 3805 -1511 3198 -8535 -725 -595 10812 -7839 5470 -8220 -4572 -120 4431 -214 -424 1030 -2027 501 3280 4808 -5122 373 -2803 -726 603 -2917 5858 1656 4656 1314 424 -3390 -468 -263 -1571 2082 1165 5470 -1210 2692 -2877 -1208 111 787 1954 -683 4153 -397 2521 -352 -2716 -2742 -2554 -2095 -5182 -2463 -2949 -572 164 408 863 700 2560 755 1610 -3364 -650 -755 1951 -1691 1180 2211 -805 -717 -2817 -2920 -740 2307 -2188 -932 -937 -779 962 468 1595 530 747 -1111 137 -1240 -1562 1799 -850 1987 879 1499 1188 1780 972 -551 -843 -1697 -655 -2761 163 -686 -628 512 2126 1144 327 679 -215 229 -1707 -1228 573 0 -404 997 -1332 2497 -147 -197 -1509 -2422 -3223 -1319 -457 697 1819 1913 2386 -1133 115 -386 -1899 1563 -1058 331 396 309 950 -376 723 -2164 -180 -159 2707 -2330 1361 -2370 -1418 -42 1743 -99 -210 559 -1154 280 1779 2542 -2916 196 -1489 -384 331 -1764 3406 1038 2892 858 281 -2306 -306 -173 -1101 1515 914 4227 -964 1896 -1999 -832 83 643 1686 -619 3529 -336 1909 -247 -1789 -1777 -1772 -1619 -4578 -2289 -2912 -583 177 469 1034 852 3005 859 1798 -3574 -626 -730 1967 -1947 1453 2907 -1121 -963 -3575 -3466 -854 2724 -2891 -1282 -1343 -1164 1490 767 2655 879 1167 -1631 184 -1626 -2088 2459 -1275 3042 1378 2289 1757 2504 1311 -715 -1065 -2222 -903 -4124 244 -1053 -990 837 3603 2038 603 1261 -401 416 -3039 -2113 SS 20240917T141813.7Z 9026.595992 335 1 48.84 2 51.65 129.35 136.15 312.61 0.00 1 0.00 1 0 17 1.664e-02 1.170e-02 8.217e-04 3.356e-04 2.068307e-01 1.755363e-04 2.510331e-03 -6.000000e+00 9.964541e-03 228.91 -2.00 3.51 -2.00 316.90 0.00e+00 1.090175e-03 2.300278e-05 3.695477e-04 -6.000000e+00 4.453961e-04 287.44 -2.00 20.00 -2.00 316.12 0.00e+00 1.608 0.000 302.00 328.00 3 1.5509e+00 4.5939e-04 1.9265e-02 -6.0000e+00 2.4775e-02 2.5834e-02 5.1345e-04 1.0563e-02 -6.0000e+00 2.6745e-02 -1.6916e-03 3.0026e-04 5.1628e-03 -6.0000e+00 1.5961e-02 -7.8983e-03 1.4435e-04 1.4754e-03 -6.0000e+00 6.8395e-03 1.7838e-02 4.2829e-04 1.0380e-05 1.7232e-05 -6.0000e+00 4.9000e-04 1.0803e-02 0.0000e+00 12 9 8 11 8 0 99.99 23.35 0.35 0.01080 0.01402 1093 251 1 5 0 44.630 26.73 19.99 23.35 25.96 26.2 1028.46 1910 595 -324 -3560 -4058 -3269 -1179 8 -1707 -4580 -5061 -3493 -1360 216 565 67 220 1606 1552 2354 799 1035 1475 1905 1486 423 -751 -1018 -717 -467 1307 1464 514 -4107 -5644 -4900 -3647 -997 -341 -623 -598 38 296 293 1108 376 -70 -586 -845 93 1090 1032 1195 1002 514 1303 308 -198 -351 308 1368 2427 2825 2072 -37 -1319 -1546 -664 1926 1273 1093 1442 1177 1194 -261 -1589 -2786 -3172 -1975 -2277 -2353 -2575 -2898 -1470 -233 415 1302 1299 1664 1255 370 -1051 -1620 -547 -595 -145 751 1341 343 -609 -1678 -2113 -1003 -609 -1744 -1792 -1032 -742 934 1449 1480 1002 605 -142 -477 -380 41 265 1037 496 760 742 1175 700 837 -746 -532 501 25 -263 -978 -1193 -434 17 278 158 764 763 500 -118 -614 -1588 299 99 -53 -559 -583 -454 -172 1 -302 -845 -934 -664 -283 50 145 19 62 463 462 715 248 320 462 624 511 149 -258 -331 -220 -142 412 496 184 -1515 -2021 -1759 -1442 -455 -181 -339 -348 23 180 179 671 227 -46 -371 -526 58 710 714 788 684 361 924 222 -141 -249 219 1008 1905 2357 1790 -31 -1044 -1143 -490 1512 1115 1025 1380 1113 1077 -220 -1343 -2185 -2449 -1613 -1894 -2171 -2575 -3074 -1625 -272 513 1673 1695 2128 1534 420 -1095 -1580 -529 -614 -164 927 1774 471 -816 -2106 -2490 -1162 -741 -2299 -2493 -1486 -1018 1328 2159 2265 1519 871 -206 -645 -495 54 367 1530 709 1099 1053 1750 1003 1139 -979 -675 646 35 -385 -1486 -1848 -686 26 443 262 1292 1306 856 -198 -1001 -2541 SS 20240917T142330.0Z 9026.599653 338 1 48.70 2 50.89 130.73 136.82 314.14 0.00 1 0.00 1 0 17 1.683e-02 1.176e-02 1.893e-03 7.895e-04 2.040805e-01 4.142780e-04 2.487504e-03 -6.000000e+00 1.007319e-02 228.91 -2.00 3.51 -2.00 316.83 0.00e+00 9.523267e-04 5.317088e-05 3.654718e-04 -6.000000e+00 4.502580e-04 287.44 -2.00 20.00 -2.00 316.04 0.00e+00 1.582 0.000 302.00 328.00 3 3.2365e+00 1.0829e-03 1.8984e-02 -6.0000e+00 2.5045e-02 3.8116e-02 1.2106e-03 1.0448e-02 -6.0000e+00 2.7036e-02 -2.4584e-04 7.0746e-04 5.0963e-03 -6.0000e+00 1.6135e-02 -8.3971e-03 3.3725e-04 1.4365e-03 -6.0000e+00 6.9140e-03 3.3913e-03 4.1127e-04 2.4352e-05 1.7463e-05 -6.0000e+00 4.9535e-04 1.0918e-02 0.0000e+00 12 8 8 10 0 0 99.98 23.32 0.47 0.01092 0.01401 176 40 1 5 0 276.650 26.73 20.01 23.32 26.51 26.2 1031.26 766 1869 -418 -3069 -4776 -2539 -1347 -446 -2231 -4697 -5512 -2958 -721 387 1024 -227 -169 1305 1237 2128 794 1130 1659 2458 1644 682 -1252 -1284 -974 -452 1542 1496 951 -4205 -5469 -4883 -3576 -1164 -432 -653 -524 177 296 576 939 322 -349 -535 -894 107 1111 974 1456 877 733 1515 280 -389 -362 118 1373 2518 2801 2302 -89 -1382 -1601 -708 1789 1156 1084 1482 1347 1097 -213 -1529 -2751 -3275 -1924 -2236 -2342 -2535 -2835 -1293 -269 428 1305 1279 1662 1236 484 -1002 -1565 -596 -552 -170 717 1394 494 -633 -1721 -1962 -1074 -592 -1842 -1903 -995 -752 949 1534 1566 924 637 -151 -543 -448 -39 219 976 576 668 794 1155 742 733 -685 -615 506 88 -239 -829 -1205 -313 -16 283 30 686 699 510 -76 -667 -1529 125 317 -71 -492 -710 -359 -203 -74 -407 -891 -1049 -574 -152 92 268 -64 -49 384 376 658 251 354 528 813 574 243 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