File name: Pandora64s1_NewHavenCT_20231117_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231118T044250.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231117_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231117 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20231117T122708.6Z 8721.518849 64 1 48.10 2 83.40 122.52 129.33 94.91 0.00 1 0.00 1 0 25 4.283e-01 3.220e-02 2.580e-01 1.322e-02 8.333358e-01 7.660146e-03 1.014498e-02 -6.000000e+00 2.543340e-01 223.13 -2.00 3.52 -2.00 321.80 0.00e+00 2.193269e-02 3.810686e-03 1.872197e-03 -6.000000e+00 1.132247e-02 280.00 -2.00 20.00 -2.00 321.31 0.00e+00 7.913 0.009 302.00 328.00 3 1.3116e+00 2.6983e-02 9.0888e-02 -6.0000e+00 6.2539e-01 1.2061e+00 3.3219e-02 5.0096e-02 -6.0000e+00 6.7875e-01 -1.3208e+00 2.6554e-02 2.5659e-02 -6.0000e+00 4.0521e-01 4.9428e-01 1.3081e-02 1.9640e-02 -6.0000e+00 1.7349e-01 1.9797e-05 -3.5182e-03 3.7801e-04 3.1793e-04 -6.0000e+00 1.2722e-02 2.9706e-03 -1.4093e-04 12 8 8 10 0 0 61.60 20.99 0.30 0.00297 -0.02347 26 6 1 5 0 1849.800 25.58 19.99 20.99 13.16 37.2 965.18 -42047 -52325 -70808 -30766 307944 -59256 -84027 -94537 47112 -66313 -46701 -47860 -78334 -1427 -7960 -7859 -2712 71935 18231 41156 -23028 900000 155947 131852 31029 -22186 -47869 17193 -54283 -104041 -16775 26251 -11654 28841 -6243 34725 -22558 -5872 7132 469 34769 8684 38059 -20341 -5546 14655 47648 29270 34573 -29663 77101 35446 56989 7137 30867 19463 11283 7265 27276 4115 9485 17961 29676 44651 52579 10231 14229 34719 22152 15604 24398 15606 9734 3186 1244 -834 27742 -762 -2249 2960 3055 -25385 -1645 1239 2211 -2829 4984 -1561 6482 1540 -5020 -2664 -11726 -5453 -4986 505 -3316 168 1007 -982 -1941 -3571 -3158 -3528 -5023 -5784 -3789 4676 -1012 2144 1670 -1414 -603 2439 1255 -2669 -1250 -163 -93 1703 -425 2177 2678 3652 2076 1190 -3424 3422 1989 316 -324 -479 -992 1032 52 -62 -27 785 767 -574 -711 -2205 -1339 -1983 -3220 -816 3968 -1670 -2774 -3274 607 -1602 -940 -1195 -3384 -40 -301 -348 -124 1680 734 1293 -1280 900000 2009 1699 775 -911 -2467 457 -3148 -11119 -1000 1184 -863 1417 -397 1454 -1780 -435 523 40 2240 755 2575 -2359 -567 1345 3262 2546 3007 -4969 5216 3939 5416 1103 3767 2641 1625 1041 3273 589 1373 2695 4521 6566 7373 2163 2977 6184 4987 4175 6251 4365 2722 869 309 -193 4794 -190 -677 1014 1144 -14319 -786 604 1133 -1592 2683 -904 3410 808 -2634 -1318 -6405 -3080 -3284 373 -2806 157 991 -962 -1779 -3131 -2561 -2955 -4549 -5229 -3634 4519 -1173 2745 2388 -2191 -932 3574 1800 -3931 -1879 -253 -153 2750 -677 3219 3827 4985 2809 1594 -4818 5012 3431 596 -682 -1082 -2406 2499 134 -166 -74 2141 2046 -1459 -1781 -5285 SS 20231117T123735.7Z 8721.526108 67 1 48.20 2 81.77 124.39 127.47 96.41 0.00 1 0.00 1 0 25 3.450e-01 2.829e-02 1.020e-01 4.502e-03 7.210854e-01 2.529371e-03 9.218067e-03 -6.000000e+00 2.047840e-01 223.13 -2.00 3.52 -2.00 321.42 0.00e+00 2.335355e-02 1.228717e-03 3.108378e-03 -6.000000e+00 9.091881e-03 280.00 -2.00 20.00 -2.00 320.93 0.00e+00 6.554 0.005 302.00 328.00 3 1.2689e+00 8.5961e-03 7.5505e-02 -6.0000e+00 5.0373e-01 6.2142e-01 1.0766e-02 4.1129e-02 -6.0000e+00 5.4680e-01 -8.6571e-01 9.2766e-03 2.5858e-02 -6.0000e+00 3.2635e-01 3.6854e-01 4.4915e-03 2.1650e-02 -6.0000e+00 1.3958e-01 9.8979e-05 -2.4829e-03 1.2970e-04 3.4142e-04 -6.0000e+00 1.0245e-02 7.9467e-04 -9.5442e-05 12 9 8 11 8 0 89.17 21.00 0.28 0.00079 -0.01786 73 18 1 5 0 660.170 25.58 19.99 21.00 14.26 37.1 969.44 -69995 -5549 -57692 -47336 -228998 -61651 -47398 -112618 -40633 -93753 -91038 -42079 -62767 -4747 45427 28393 31169 68774 32846 30250 62966 24891 49787 -776 3658 629 4338 -16175 34209 -41625 38619 11284 56299 32659 60876 18630 46097 9670 43754 12228 42721 17908 34831 11289 40418 34581 45229 26188 33552 17943 41566 29347 42743 19915 26073 16667 12162 10766 14757 14609 12521 15740 16631 18097 19195 14140 13851 13541 7787 9719 5628 6457 2117 3324 -3273 -1366 -669 -2962 -1458 3193 -3718 -4077 -3775 -2922 -2957 -2282 -2357 -159 -100 1870 -3426 -2132 -7379 -5018 -4429 -2124 -3031 441 477 246 -451 -1157 -4594 -2015 -1849 -3066 -2051 -687 -1810 -62 -73 -745 -332 -367 -845 -1230 642 443 1526 1877 1229 1657 2923 1941 3250 2056 242 1145 1597 1221 1414 102 -225 -653 568 -227 -673 -83 753 -770 -643 -2445 -1592 -80 -1312 -956 -20606 -1137 -707 -2831 -535 -2058 -1998 -702 -1763 -100 738 648 766 1268 894 850 1216 656 983 -24 104 18 120 -554 766 -2159 1237 555 2002 1477 1924 908 1841 567 2285 883 2663 1372 2391 1014 2822 2677 3285 2435 3053 2055 4163 3607 4895 3020 3735 2620 1975 1718 2220 2256 2133 2946 3517 4210 4534 3453 3471 3544 2213 3029 1923 2206 720 1035 -984 -403 -194 -948 -498 1240 -1785 -2221 -2197 -1779 -1925 -1551 -1669 -112 -69 1213 -2197 -1295 -4715 -3410 -3472 -1763 -2944 471 537 271 -465 -1082 -4182 -1857 -1818 -3195 -2287 -823 -2460 -86 -112 -1194 -528 -565 -1258 -1814 961 698 2505 3112 1994 2569 4358 2812 4523 2829 338 1750 2779 2384 2816 218 -514 -1592 1365 -567 -1711 -212 1870 -1834 -1539 -5649 SS 20231117T124822.6Z 8721.533595 70 1 48.27 2 80.12 126.36 125.55 97.93 0.00 1 0.00 1 0 25 4.131e-01 1.115e-02 6.861e-02 1.972e-03 6.481149e-01 1.088874e-03 7.528200e-03 -6.000000e+00 2.452921e-01 223.13 -2.00 3.52 -2.00 320.92 0.00e+00 4.118943e-03 4.864869e-04 1.467229e-03 -6.000000e+00 1.088875e-02 279.99 -2.00 20.00 -2.00 320.40 0.00e+00 5.571 0.003 302.00 328.00 3 1.0737e+00 3.5087e-03 6.5021e-02 -6.0000e+00 6.0337e-01 6.0754e-02 4.6489e-03 3.4862e-02 -6.0000e+00 6.5492e-01 -9.6999e-02 4.6257e-03 1.9542e-02 -6.0000e+00 3.9088e-01 3.4793e-02 2.2486e-03 7.4604e-03 -6.0000e+00 1.6721e-01 3.7603e-04 -1.0954e-03 5.8736e-05 1.0238e-04 -6.0000e+00 1.2270e-02 2.2093e-04 -7.4315e-05 12 8 8 10 0 0 79.95 21.00 0.22 0.00022 -0.00801 169 41 1 5 0 285.590 25.58 20.00 21.00 15.31 37.3 975.76 -129333 -151195 -107164 -115197 -255724 -136393 -114959 -138976 -68239 -118437 -79530 -99643 -46289 -61695 -21580 -37421 -9627 -25950 912 -30519 -9373 -5808 18512 -25450 10263 -21032 87 -28197 -2298 -37214 8149 -5164 12340 -8893 646 -9887 9346 -6451 7543 -1618 7477 -756 8438 -3270 6518 3551 9130 3638 4674 -2225 6764 5648 7001 4461 3715 3277 380 1107 1695 2682 742 3096 3796 5270 2923 1361 940 1909 915 3153 295 2426 -362 1645 -813 -926 -1886 -1276 -1779 374 -1845 -1449 -2364 -1679 -1293 -476 196 496 712 783 -212 399 -1963 -472 -191 355 -554 1067 393 -312 -582 -1459 -2442 189 199 -1664 -819 -707 -106 487 845 149 210 2 -157 -371 555 -245 803 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