File name: Pandora177s1_WestportCT_20240819_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240904T091621.2Z 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_20240819_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: 20240819 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 20240819T120803.6Z 8997.505597 259 1 48.61 2 68.46 92.04 117.11 269.65 0.00 1 0.00 1 0 17 5.406e-02 1.217e-02 2.828e-02 3.264e-03 3.407168e-01 1.747082e-03 4.283653e-03 -6.000000e+00 3.272673e-02 231.44 -2.00 3.51 -2.00 319.31 0.00e+00 2.856736e-03 4.471132e-04 1.849702e-03 -6.000000e+00 1.461292e-03 289.81 -2.00 20.00 -2.00 318.49 0.00e+00 2.698 0.000 302.00 328.00 3 4.0523e+00 4.9338e-03 3.3049e-02 -6.0000e+00 8.1808e-02 1.9695e-02 5.7308e-03 1.9720e-02 -6.0000e+00 8.8062e-02 9.0634e-03 4.0324e-03 9.7993e-03 -6.0000e+00 5.2523e-02 -1.2681e-02 2.0951e-03 2.8029e-03 -6.0000e+00 2.2482e-02 4.0257e-04 6.2608e-05 1.0423e-04 3.9718e-05 -6.0000e+00 1.5921e-03 -6.8355e-04 0.0000e+00 12 8 8 10 0 0 99.96 23.44 0.31 -0.00068 -0.00021 45 10 1 5 0 1079.990 26.83 20.00 23.44 28.79 26.0 1045.54 -13936 4512 7870 -28250 -7241 -24330 -24502 -22194 -9897 -5851 -7067 -8945 -11445 -3086 -8454 -3200 -7200 6919 -3125 5265 -1445 -3172 2082 -3671 3372 -1907 -1921 -6650 1483 -296 3885 1682 1652 -3835 -9762 -2295 -6063 -1005 1407 -89 -103 -964 584 -2252 2205 -229 2459 473 604 698 2526 1110 1561 3220 -565 2230 57 794 -678 1818 453 3625 3952 1700 695 -1830 -1402 -1011 2825 1859 506 1840 954 1352 -1010 -1923 -3254 -4161 -1998 -2734 -2878 -2279 -2662 -1946 409 350 1763 1531 2092 1527 766 -585 -2227 -889 -621 -396 54 1301 519 -335 -1823 -2548 -1174 -769 -1477 -1948 -681 -946 884 1765 1516 1008 624 -329 -786 -742 -384 97 1104 750 903 939 1513 212 879 -1533 -864 10 -111 -497 -751 -1485 -826 127 7 142 724 1058 602 235 -513 -1426 -501 148 252 -1227 -235 -918 -997 -994 -427 -251 -315 -441 -676 -200 -671 -267 -669 591 -310 500 -150 -335 214 -424 384 -234 -232 -812 163 -34 470 232 246 -609 -1591 -351 -1071 -201 327 -24 -30 -300 184 -743 702 -75 779 152 195 233 884 426 636 1352 -255 1003 27 363 -311 821 218 1838 2177 1009 413 -1048 -758 -554 1638 1216 361 1332 687 922 -649 -1215 -1933 -2484 -1270 -1990 -2192 -1892 -2368 -1821 399 365 1903 1687 2261 1586 743 -567 -2071 -827 -626 -412 63 1627 682 -433 -2215 -2881 -1377 -872 -1804 -2529 -915 -1342 1316 2791 2516 1688 1009 -500 -1121 -1019 -533 141 1695 1206 1462 1485 2298 313 1329 -2260 -1234 14 -164 -792 -1257 -2577 -1476 236 15 292 1515 2233 1272 485 -1020 -2759 SS 20240819T144128.7Z 8997.612138 368 1 13.05 2 41.16 124.27 143.10 301.19 0.00 1 0.00 1 0 17 1.848e-02 1.353e-02 6.217e-03 3.348e-03 1.905341e-01 1.792412e-03 2.275397e-03 -6.000000e+00 1.118443e-02 231.44 -2.00 3.51 -2.00 315.94 0.00e+00 1.085380e-03 1.880425e-04 2.032716e-04 -6.000000e+00 4.994579e-04 289.80 -2.00 20.00 -2.00 315.16 0.00e+00 1.327 0.000 302.00 328.00 3 5.1308e+00 4.6602e-03 1.6578e-02 -6.0000e+00 2.7957e-02 7.4235e-02 5.1648e-03 9.7745e-03 -6.0000e+00 3.0096e-02 -1.3082e-02 2.9751e-03 4.7187e-03 -6.0000e+00 1.7950e-02 -3.1510e-03 1.3636e-03 1.3418e-03 -6.0000e+00 7.6827e-03 6.6086e-04 -1.4062e-04 1.0261e-04 1.6690e-05 -6.0000e+00 5.4420e-04 6.7097e-05 0.0000e+00 12 9 9 12 9 1 96.72 23.37 0.17 0.00007 -0.00099 4 4 1 5 0 2609.730 26.73 20.00 23.37 31.01 26.2 1060.99 -245 1709 -360 -3065 -3090 -2188 1193 2870 401 -5837 -5199 -2084 -3477 -56 1021 598 -463 1131 1770 843 1484 3657 193 2419 2119 327 -1243 -847 1413 454 2474 2283 990 -4534 -5553 -5508 -4406 -1252 -344 -915 -334 939 -26 400 1178 1056 -588 -1607 -1062 -300 1260 773 1795 1006 747 1456 792 -382 -1438 529 1755 2827 2734 2593 -298 -2145 -2571 -1404 1975 1022 772 1748 951 1561 -281 -1332 -3440 -3885 -2460 -2034 -2717 -1903 -2665 -1607 -178 -48 1253 1701 1599 1699 336 -898 -2171 -1195 -1004 -601 574 1940 751 -238 -947 -2310 -1100 -905 -1505 -1685 -671 -881 1101 1517 1803 1135 658 -146 -95 -106 -740 -478 936 690 1111 385 1161 663 1003 205 -1190 -321 -437 -423 -372 -1314 -653 -25 639 -106 683 1105 691 -72 -669 -1892 -55 397 -84 -722 -659 -444 248 655 101 -1590 -1392 -558 -1040 -17 343 214 -172 425 679 335 590 1415 78 999 917 146 -545 -348 535 170 1009 937 431 -2058 -2425 -2400 -2091 -679 -204 -614 -239 688 -19 300 874 775 -426 -1135 -727 -205 886 579 1394 813 618 1215 669 -323 -1213 441 1503 2422 2501 2445 -280 -1884 -2216 -1187 1748 956 776 1788 971 1514 -257 -1171 -2808 -3083 -2034 -1863 -2620 -1969 -2938 -1750 -204 -59 1586 2183 2025 2053 379 -978 -2209 -1190 -1058 -690 678 2442 989 -308 -1142 -2779 -1289 -1112 -1886 -2233 -918 -1193 1534 2212 2694 1687 930 -202 -120 -136 -914 -620 1282 999 1550 561 1620 890 1276 263 -1490 -405 -583 -566 -515 -1860 -940 -38 949 -165 1086 1773 1111 -114 -1031 -2860 SS 20240819T144643.1Z 8997.615777 371 1 39.61 2 40.35 125.79 143.88 302.71 0.00 1 0.00 1 0 17 1.639e-02 1.252e-02 4.287e-03 2.074e-03 1.826499e-01 1.106666e-03 2.229350e-03 -6.000000e+00 9.920609e-03 231.44 -2.00 3.51 -2.00 316.40 0.00e+00 1.039766e-03 1.272548e-04 2.920897e-04 -6.000000e+00 4.429593e-04 289.80 -2.00 20.00 -2.00 315.58 0.00e+00 1.311 0.000 302.00 328.00 3 5.0335e+00 2.8898e-03 1.6221e-02 -6.0000e+00 2.4798e-02 5.9126e-02 3.2097e-03 9.3953e-03 -6.0000e+00 2.6694e-02 -1.3074e-03 1.8571e-03 4.5522e-03 -6.0000e+00 1.5921e-02 -9.5018e-03 8.6340e-04 1.2871e-03 -6.0000e+00 6.8153e-03 7.5442e-04 7.0180e-05 6.4236e-05 1.6268e-05 -6.0000e+00 4.8264e-04 -8.0318e-04 0.0000e+00 12 9 9 12 1 1 99.98 23.36 0.23 -0.00080 -0.00028 22 6 1 5 0 1721.640 26.73 19.95 23.36 31.36 26.2 1063.23 1756 388 509 -2937 -1530 -4516 -681 94 454 -3472 -5428 -1231 -1446 695 111 1819 350 2110 1176 1655 1458 -293 1198 1118 2501 319 -1146 -1826 -693 -22 1278 1754 403 -2822 -5949 -4811 -4196 -648 306 -683 -913 -66 893 271 1007 -204 -573 -459 -853 434 700 1026 533 835 668 1561 475 -240 -197 -193 784 2041 3155 2394 374 -1388 -1342 -1166 1916 1467 918 1366 1023 1332 -351 -1310 -2612 -2685 -2548 -2541 -2770 -2967 -2602 -1599 68 422 1629 1551 1767 1396 739 -756 -2049 -815 -593 -479 391 1286 449 -670 -1628 -2519 -979 -860 -1679 -1917 -946 -739 960 1617 1702 1390 698 -214 -239 -785 -356 -147 942 445 808 721 862 475 991 -484 -1195 180 16 -511 -949 -1104 -497 147 308 242 719 840 734 -139 -613 -1698 333 79 101 -557 -281 -821 -127 19 100 -810 -1277 -286 -371 197 32 552 111 730 390 607 540 -110 448 436 1005 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