File name: Pandora75s1_EssexMD_20241221_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241222T050738.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241221_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241221 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20241221T141447.0Z 9121.593599 332 1 52.77 2 74.19 140.01 63.79 255.99 0.00 1 0.00 1 0 17 2.819e-01 1.764e-02 1.311e-01 4.658e-03 5.110315e-01 2.530004e-03 6.168390e-03 -6.000000e+00 1.689645e-01 223.27 -2.00 3.48 -2.00 319.99 0.00e+00 2.316143e-03 8.275211e-04 1.623716e-03 -6.000000e+00 7.673243e-03 278.09 -2.00 20.00 -2.00 319.44 0.00e+00 3.607 0.001 302.00 328.00 3 4.5675e+00 7.2865e-03 4.4980e-02 -6.0000e+00 4.1576e-01 5.5173e-02 8.8780e-03 2.8115e-02 -6.0000e+00 4.5138e-01 -5.3771e-02 7.9551e-03 1.3870e-02 -6.0000e+00 2.6842e-01 1.6179e-02 4.1123e-03 4.0188e-03 -6.0000e+00 1.1539e-01 8.0996e-05 -5.2399e-03 1.4761e-04 5.5370e-05 -6.0000e+00 8.9228e-03 -1.8516e-02 -5.9010e-04 12 9 8 11 40 0 99.99 22.93 0.48 -0.01852 -0.05789 16 3 1 5 0 3297.920 25.79 20.00 22.93 10.24 5.6 894.09 -187853 900000 23169 900000 -122253 -16564 900000 97451 -66873 -22100 -66080 -43646 900000 900000 11419 54999 -19957 -7120 86826 14965 13036 109240 -7077 -371 -15993 9265 28929 39838 20591 -5353 39642 -10018 -4639 2088 20204 33903 -14890 12605 4619 -2274 -6807 5461 1995 -2750 5131 12634 10718 1547 7812 11363 126 2655 11303 8337 -5741 1681 4869 -598 2477 -2956 -2149 4936 1183 954 -495 -1347 -2716 1685 4414 -3143 -19 788 -851 -2598 1652 -936 -4388 -2576 -956 -733 1175 -7506 -49 575 -370 -580 1430 1337 387 2663 -1642 -1633 740 -4245 -2950 1915 1208 1130 716 225 -1564 -2720 137 -1335 -1115 -977 -529 672 529 2127 1743 724 -323 -181 -358 148 437 21 -158 277 171 1328 2808 136 413 -1481 -31 -2899 -580 735 -1049 -712 -1 -432 -287 -32 216 1529 -178 290 -495 -402 -9222 900000 172 900000 -3581 -164 900000 442 -1435 -328 -1608 -1030 900000 900000 280 1023 -878 -300 1537 570 521 1685 -363 -19 -1023 483 1260 1518 934 -330 1763 -841 -415 185 1467 2154 -1682 1264 604 -376 -1319 1004 397 -589 1029 2385 2086 336 1638 2423 33 737 3124 2550 -2129 599 1715 -222 875 -1097 -821 1913 529 466 -230 -675 -1352 820 2267 -1779 -11 488 -530 -1566 879 -509 -2312 -1336 -533 -427 770 -6022 -40 492 -341 -569 1441 1267 402 2596 -1559 -1447 614 -3774 -2829 1983 1313 1373 926 290 -1928 -3117 144 -1441 -1276 -1179 -673 901 769 3069 2716 1177 -523 -280 -522 223 662 31 -243 441 272 2041 4457 213 616 -2167 -44 -4396 -868 1188 -1858 -1324 -1 -819 -574 -67 461 3262 -383 598 -981 -762 SS 20241221T142002.3Z 9121.597249 335 1 50.76 2 73.55 141.07 64.77 256.90 0.00 1 0.00 1 0 17 2.676e-01 1.535e-02 9.488e-02 3.566e-03 4.949425e-01 1.894490e-03 5.967858e-03 -6.000000e+00 1.597920e-01 223.27 -2.00 3.48 -2.00 319.67 0.00e+00 1.695208e-03 5.610418e-04 1.751602e-03 -6.000000e+00 6.981685e-03 278.09 -2.00 20.00 -2.00 319.11 0.00e+00 3.474 0.001 302.00 328.00 3 4.2856e+00 5.3400e-03 4.3205e-02 -6.0000e+00 3.9329e-01 6.0397e-02 6.3482e-03 2.6581e-02 -6.0000e+00 4.2600e-01 -7.5516e-02 5.2763e-03 1.3637e-02 -6.0000e+00 2.5404e-01 2.7424e-02 2.7538e-03 4.0580e-03 -6.0000e+00 1.0904e-01 1.2499e-04 -1.2637e-03 1.1021e-04 5.8912e-05 -6.0000e+00 8.2274e-03 -2.8173e-02 2.6531e-04 12 9 8 11 40 0 93.88 22.95 0.45 -0.02817 -0.03767 16 3 1 5 0 3172.200 25.79 20.00 22.95 9.94 5.7 892.28 -154491 -36037 -38710 47419 -136247 -43919 102437 -4117 -67666 -40923 -57315 -21113 92356 92986 2298 1063 -20756 -13703 77702 20994 7401 26952 -1947 1797 -18218 4180 10486 9024 -3581 -8489 7241 -6261 9077 -1261 3584 15149 -10622 1251 4308 -2475 -220 -1515 1023 251 6947 7648 1127 3368 7907 5604 917 2055 7930 6779 -1497 1875 1507 166 571 -725 460 2567 1636 1851 -36 -389 -1916 -322 3871 5321 -620 658 1007 -1224 1552 -832 -3432 -3699 -1249 -3358 -185 -6321 -1050 -921 -766 -1104 1115 1478 -7 2543 -493 -1791 -80 -3002 -2386 120 574 306 658 186 -1175 -1843 -353 -1088 -1212 -1813 -554 15 285 2026 1461 975 -108 -246 -286 122 440 56 227 294 500 1236 1483 298 491 -1125 430 405 -423 12 -493 -407 -27 -167 -590 -26 164 1058 -376 206 -411 -798 -7667 -638 -759 390 -6546 -805 499 -64 -2235 -1124 -1953 -543 899 1099 82 45 -1212 -810 1972 985 409 1237 -123 117 -1546 298 715 609 -266 -685 556 -629 877 -144 384 1438 -1411 171 687 -500 -49 -366 252 64 1671 1848 293 867 1990 1512 280 681 2685 2267 -573 718 592 66 222 -283 183 1086 774 952 -19 -206 -1002 -168 2092 3182 -431 472 716 -848 964 -480 -1891 -2031 -725 -2284 -139 -5224 -895 -834 -739 -1138 1178 1598 -7 2609 -487 -1669 -70 -2739 -2353 130 652 389 885 249 -1506 -2187 -388 -1221 -1447 -2302 -734 21 401 3051 2378 1646 -181 -396 -433 177 637 85 362 486 827 1981 2298 449 705 -1699 626 612 -653 21 -836 -726 -49 -325 -1147 -52 339 2199 -788 413 -843 -1574 SS 20241221T144341.2Z 9121.613672 344 1 51.29 2 70.83 146.00 69.22 260.84 0.00 1 0.00 1 0 17 8.939e-02 8.038e-03 7.423e-02 4.235e-03 4.364854e-01 2.237986e-03 5.163679e-03 -6.000000e+00 5.335342e-02 223.27 -2.00 3.48 -2.00 319.80 0.00e+00 2.482314e-03 6.844676e-04 1.011786e-03 -6.000000e+00 2.331601e-03 278.09 -2.00 20.00 -2.00 319.25 0.00e+00 3.009 0.000 302.00 328.00 3 4.2293e+00 6.3521e-03 3.7359e-02 -6.0000e+00 1.3132e-01 4.4387e-02 7.5851e-03 2.2500e-02 -6.0000e+00 1.4225e-01 -2.2798e-02 6.4300e-03 1.2069e-02 -6.0000e+00 8.4829e-02 -1.7261e-03 3.3640e-03 4.1827e-03 -6.0000e+00 3.6404e-02 2.1965e-04 -1.0662e-03 1.3542e-04 5.3015e-05 -6.0000e+00 2.7479e-03 -2.8425e-02 1.8143e-04 11 9 0 11 24 0 71.58 22.97 0.36 -0.02842 -0.03644 20 3 1 5 0 2564.290 25.79 20.00 22.97 9.81 5.7 893.28 -17879 -10493 -20581 -32899 -12051 7293 -56623 -21521 -48844 6808 -21253 -15453 -8729 -15190 7503 6859 1036 -9323 -89 -10485 10099 -8754 -17659 1673 1079 -14447 -4715 -63 -8849 -8232 -1807 3817 -6097 -1034 -5495 -1215 -9684 -541 -3622 -1184 -579 4571 1428 -1665 1457 -1340 2452 -1146 2033 2939 -1957 949 -1320 2825 1814 -350 741 -559 1853 -782 1716 1643 2544 2840 2342 1370 -1324 3253 -151 1643 1009 1465 1549 398 -1139 -958 -2319 -2334 -3903 -1117 -1604 -2014 -1275 -1122 -776 232 670 527 397 1856 896 221 -997 -76 -311 -345 -34 519 189 74 -396 -1736 -1111 -1201 -1334 -1790 -952 169 969 507 727 469 133 -429 -353 226 -600 155 257 528 141 238 634 560 459 35 221 164 118 32 -4 -475 3 155 89 -149 559 256 146 -310 -712 -487 -268 -169 -394 -704 -195 93 -1424 -420 -1394 120 -519 -383 -236 -530 251 268 47 -511 -5 -649 523 -552 -1253 104 71 -1166 -350 -4 -648 -615 -154 347 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