File name: Pandora177s1_WestportCT_20230924_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033052.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230924_L1_smca1c7d20230401p1-8.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: 20230924 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20230924T144357.6Z 8667.613861 173 1 5.39 2 49.91 138.64 149.51 71.94 0.00 1 0.00 1 0 17 2.063e-02 1.315e-02 1.285e-02 6.586e-03 2.043257e-01 3.487431e-03 2.487647e-03 -6.000000e+00 1.234591e-02 228.25 -2.00 3.51 -2.00 316.09 0.00e+00 9.875003e-04 3.782905e-04 2.588302e-04 -6.000000e+00 5.502680e-04 286.71 -2.00 20.00 -2.00 315.36 0.00e+00 1.550 0.000 302.00 328.00 3 3.9138e+00 9.0223e-03 1.8688e-02 -6.0000e+00 3.0657e-02 5.3409e-02 1.0024e-02 1.0395e-02 -6.0000e+00 3.3091e-02 -1.0480e-02 5.8039e-03 5.0784e-03 -6.0000e+00 1.9752e-02 -4.3286e-03 2.6978e-03 1.4424e-03 -6.0000e+00 8.4894e-03 1.7691e-03 -3.4105e-04 2.0124e-04 1.8533e-05 -6.0000e+00 6.0687e-04 -8.1440e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.23 0.61 -0.00814 -0.01071 1 4 2 5 0 2689.780 26.62 20.00 23.23 20.31 21.9 981.01 -689 7875 3375 16 -5320 -3011 -2684 -2782 -271 -7338 -2434 -5282 2097 -2734 971 -4053 -538 790 2387 3035 1440 862 2059 4581 -1616 -1510 -600 -987 3462 -1935 -108 1608 -11 -2937 -6079 -4047 -2100 -971 -3290 -900 -1240 2810 1910 1850 2580 -589 1097 -345 -681 385 860 495 1001 290 252 1422 77 474 -87 2211 -329 2245 2072 2566 -472 -1850 -1540 -1312 3428 -738 1559 1156 1776 1134 -256 -1573 -1605 -3262 -2863 -1253 -2812 -2441 -3419 -222 -995 -517 969 506 1699 658 618 -578 -1380 -2489 -244 746 398 1062 936 -1393 -1496 -1390 -568 -755 -1317 -1440 -673 -1034 1488 1671 1122 1054 1194 -558 558 -456 456 -93 997 841 652 845 1402 558 535 -734 -1365 -15 422 -397 -1898 117 -283 481 542 -68 201 607 -188 -455 -261 -1111 -148 1653 733 3 -1057 -561 -528 -612 -63 -1867 -585 -1351 551 -804 306 -1438 -191 284 870 1129 550 329 788 1786 -703 -666 -255 -397 1257 -727 -42 655 -5 -1308 -2666 -1732 -968 -493 -2013 -575 -856 1937 1353 1317 1819 -424 756 -234 -452 269 593 363 769 232 206 1172 61 393 -71 1789 -270 1926 1905 2428 -448 -1641 -1324 -1116 3009 -712 1505 1154 1746 1128 -239 -1411 -1310 -2620 -2420 -1103 -2792 -2494 -3738 -248 -1140 -630 1223 626 2144 803 730 -626 -1458 -2627 -254 844 475 1363 1194 -1772 -1849 -1672 -666 -887 -1666 -1844 -893 -1433 2116 2395 1669 1555 1744 -766 729 -576 575 -124 1346 1200 950 1211 1931 776 709 -933 -1763 -19 550 -554 -2663 164 -407 717 816 -107 326 993 -297 -736 -407 -1692 SS 20230924T145229.1Z 8667.619781 179 1 48.78 2 48.88 141.10 148.05 73.99 0.00 1 0.00 1 0 17 1.750e-02 1.145e-02 6.639e-03 2.618e-03 1.961652e-01 1.368199e-03 2.408753e-03 -6.000000e+00 1.047753e-02 228.25 -2.00 3.51 -2.00 317.11 0.00e+00 1.006872e-03 1.853632e-04 4.034225e-04 -6.000000e+00 4.668718e-04 286.71 -2.00 20.00 -2.00 316.30 0.00e+00 1.518 0.000 302.00 328.00 3 4.8243e+00 3.5980e-03 1.8219e-02 -6.0000e+00 2.6018e-02 3.9939e-02 4.0259e-03 1.0058e-02 -6.0000e+00 2.8082e-02 -9.7478e-05 2.3613e-03 4.9217e-03 -6.0000e+00 1.6762e-02 -8.7438e-03 1.1348e-03 1.3912e-03 -6.0000e+00 7.2061e-03 7.4799e-04 -7.7518e-05 8.2060e-05 1.6715e-05 -6.0000e+00 5.1488e-04 -9.7475e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.24 0.41 -0.00975 -0.01033 124 29 1 5 0 393.290 26.62 20.00 23.24 20.44 21.9 982.56 -1387 2316 -1950 -3311 -7466 -2528 -1565 2 -1154 -3903 -4961 -4362 -2187 -1582 1214 43 183 3234 1677 2535 1281 1097 1921 1699 1593 -13 -1210 -705 -546 -1126 1498 975 1960 -2402 -5089 -4868 -3241 -502 56 -1016 9 260 -567 -66 622 696 -407 -964 -679 -780 1935 329 1005 632 817 1655 707 191 -667 125 1457 2097 2595 2345 270 -1353 -1162 -933 1611 1049 833 1586 1079 933 258 -1648 -2704 -2505 -2024 -2215 -2997 -2431 -3046 -1278 35 199 1413 1462 1606 1249 801 -920 -1885 -827 -715 -580 313 1310 380 -504 -1654 -1912 -942 -543 -1574 -1994 -983 -785 926 1645 1596 1126 863 -179 -546 -522 -199 -106 765 518 717 901 987 567 754 -544 -793 360 -62 -251 -654 -1057 -595 261 242 246 358 784 687 104 -664 -1461 -218 373 -324 -516 -1100 -340 -221 0 -196 -697 -888 -801 -434 -354 294 11 49 869 471 726 375 321 564 522 514 -4 -396 -216 -158 -321 434 305 638 -811 -1683 -1600 -1151 -205 27 -553 5 156 -350 -41 381 421 -242 -559 -383 -443 1119 205 655 427 564 1152 500 135 -469 88 1049 1608 2118 1983 226 -1062 -841 -667 1215 883 755 1470 996 827 213 -1355 -2043 -1825 -1550 -1891 -2642 -2311 -3085 -1341 38 235 1731 1825 1979 1477 879 -1006 -1919 -823 -752 -668 363 1628 494 -644 -1987 -2322 -1115 -671 -2104 -2613 -1331 -1103 1345 2497 2499 1756 1281 -248 -756 -690 -265 -148 1134 750 1057 1418 1500 829 1047 -725 -1021 465 -86 -367 -992 -1637 -940 426 418 409 611 1350 1185 176 -1190 -2556 SS 20230924T145646.5Z 8667.622761 182 1 2.47 2 48.38 142.36 147.31 74.98 0.00 1 0.00 1 0 17 1.703e-02 1.287e-02 5.291e-03 3.221e-03 1.937753e-01 1.714014e-03 2.360127e-03 -6.000000e+00 1.018501e-02 228.25 -2.00 3.51 -2.00 315.45 0.00e+00 5.473872e-04 1.624677e-04 1.796698e-04 -6.000000e+00 4.542049e-04 286.71 -2.00 20.00 -2.00 314.76 0.00e+00 1.503 0.000 302.00 328.00 3 3.5196e+00 4.4039e-03 1.7989e-02 -6.0000e+00 2.5291e-02 2.9961e-02 4.8759e-03 9.8510e-03 -6.0000e+00 2.7303e-02 -1.2978e-03 2.8065e-03 4.8124e-03 -6.0000e+00 1.6297e-02 -6.0792e-03 1.2759e-03 1.3444e-03 -6.0000e+00 7.0001e-03 2.8269e-03 -6.2508e-04 9.7348e-05 1.9113e-05 -6.0000e+00 5.0094e-04 -4.5692e-03 0.0000e+00 12 9 9 12 9 1 -660.11 23.25 0.40 -0.00457 -0.00927 3 18 1 5 0 615.510 26.62 20.00 23.25 20.61 22.0 984.36 1629 -936 1942 -3528 -619 -2797 150 968 1035 -4552 -5888 -2442 -1558 804 79 1789 -1003 1552 2508 2111 2218 261 1417 2096 2354 523 -1305 -982 851 -1494 2408 2354 -40 -4285 -7148 -3546 -2400 -1400 -177 -442 -249 -414 111 150 1626 -105 -202 -553 -1360 -15 651 967 954 1012 462 2127 118 106 -255 486 814 1868 2672 2463 509 -1433 -1300 -1311 1965 1538 640 914 1487 1839 26 -943 -2326 -3539 -1850 -2377 -2497 -2148 -3177 -1909 -131 277 1475 1379 1384 1271 480 -664 -1749 -137 -1114 -362 937 1228 837 -694 -1116 -2305 -691 -1106 -1369 -1629 -959 -565 669 1277 1777 1346 1057 -98 -320 -259 -441 239 1017 358 779 520 931 678 1436 -733 -957 433 -288 -171 -887 -1026 -392 155 727 -41 445 814 548 -294 -574 -1730 423 -264 526 -933 -156 -693 38 275 294 -1395 -1812 -749 -521 297 30 718 -427 662 1091 947 1004 120 654 1005 1181 272 -670 -473 379 -667 1077 1129 -21 -2286 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