File name: Pandora55s1_QueensNY_20240623_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T140723.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240623_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240623 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20240623T111614.6Z 8940.469613 225 1 50.54 2 71.60 74.56 97.22 239.80 0.00 1 0.00 1 0 25 6.209e-02 6.993e-03 1.230e-02 1.282e-03 4.211282e-01 6.778333e-04 4.942817e-03 -6.000000e+00 3.753475e-02 232.90 -2.00 3.51 -2.00 318.86 0.00e+00 3.453004e-04 1.557209e-04 2.595774e-04 -6.000000e+00 1.663138e-03 287.57 -2.00 20.00 -2.00 318.05 0.00e+00 3.128 0.001 302.00 328.00 3 2.7392e+00 1.8835e-03 3.8553e-02 -6.0000e+00 9.4190e-02 -9.2793e-03 2.1640e-03 2.2458e-02 -6.0000e+00 1.0157e-01 -1.3903e-02 1.5087e-03 1.0817e-02 -6.0000e+00 6.0490e-02 6.6320e-04 7.8234e-04 2.9800e-03 -6.0000e+00 2.5282e-02 9.1688e-04 -7.2808e-04 3.9287e-05 3.5323e-05 -6.0000e+00 1.8555e-03 3.4588e-03 0.0000e+00 11 8 0 10 0 0 96.66 22.80 0.23 0.00346 -0.00201 83 16 1 5 0 608.710 26.11 20.00 22.80 30.70 37.8 1100.00 -17074 -26902 36623 -29361 -2806 -4010 -15799 20163 -1672 -7898 -17477 -8077 -12881 -6685 13017 -299 -7923 6352 9978 5389 -3668 2238 3282 -5393 689 -3259 9001 -3849 -2583 -3524 1734 2401 -446 -3756 -1920 6051 -1332 -1464 463 1121 -2695 -154 -2773 -2129 -1177 1062 -1968 298 357 742 457 -472 142 2098 1290 205 1146 185 856 817 1122 2121 1390 29 -38 -229 1088 433 1943 1280 177 108 -367 -794 -305 -512 614 1300 1167 -33 -372 -221 -1603 -1101 -1377 -732 -899 -367 -470 -495 -7 313 573 1701 1329 1115 622 582 -469 -579 -621 -727 5 784 65 -995 -496 -885 -4 301 -106 -606 -178 -145 -114 656 953 899 535 -272 -815 -512 -5 -101 -132 115 235 1458 878 152 486 149 485 356 223 -209 -63 98 -366 -495 -329 -245 -193 174 -522 -1034 837 -1229 -87 -120 -546 554 -63 -343 -867 -387 -724 -416 798 -24 -739 558 902 534 -408 241 357 -667 87 -450 1142 -539 -347 -472 233 355 -75 -699 -355 1023 -248 -304 111 312 -869 -52 -1005 -790 -437 392 -744 111 133 282 181 -201 64 993 646 107 611 100 461 435 601 1166 821 19 -25 -154 702 274 1234 877 133 86 -301 -647 -240 -381 424 849 763 -23 -286 -186 -1464 -1052 -1376 -760 -977 -411 -536 -563 -8 331 575 1634 1285 1139 687 694 -601 -770 -824 -931 7 915 77 -1241 -641 -1183 -6 431 -159 -954 -285 -229 -175 966 1360 1282 783 -414 -1285 -814 -7 -156 -201 169 337 2034 1240 225 757 242 810 607 391 -380 -118 186 -709 -962 -631 -459 -353 313 SS 20240623T112628.2Z 8940.476715 231 1 17.19 2 69.73 76.06 98.82 241.30 0.00 1 0.00 1 0 25 1.423e-01 1.193e-02 4.553e-02 4.237e-03 3.821407e-01 2.238812e-03 4.490707e-03 -6.000000e+00 8.600726e-02 232.90 -2.00 3.51 -2.00 318.59 0.00e+00 -7.296715e-04 4.700196e-04 2.320060e-04 -6.000000e+00 3.810967e-03 287.57 -2.00 20.00 -2.00 317.77 0.00e+00 2.856 0.000 302.00 328.00 3 4.1466e+00 6.1532e-03 3.5089e-02 -6.0000e+00 2.1583e-01 -1.3319e-02 7.0252e-03 2.0269e-02 -6.0000e+00 2.3274e-01 6.2173e-03 4.7059e-03 9.8097e-03 -6.0000e+00 1.3861e-01 -4.3390e-03 2.4181e-03 2.6865e-03 -6.0000e+00 5.7930e-02 3.0534e-04 -3.7707e-04 1.3076e-04 3.1936e-05 -6.0000e+00 4.2517e-03 3.5274e-03 0.0000e+00 12 9 9 12 41 1 94.11 22.79 0.18 0.00353 0.00069 6 4 1 5 0 2454.670 26.11 19.98 22.79 31.51 37.7 1100.00 -31670 -2845 -21464 -15830 300 133141 -18749 58092 23533 -260 -15052 -12259 -11829 -20538 17444 -6831 -2350 -15304 38137 -2578 2942 -3380 4370 -10006 -2057 -2572 -7253 6111 -5720 -725 -725 12236 -2304 -3605 -6509 14096 -2841 -5688 4637 2952 -1961 -2065 -429 -4186 -941 4296 -2325 3469 1841 1647 571 -268 -2580 6448 1547 2847 2007 -581 935 461 2434 2960 2139 -2333 1786 -2582 2742 -2069 1893 1453 1009 5 529 -374 -111 70 300 4411 -277 574 -2523 -1520 -2356 -1401 -904 -795 -1587 -565 -1183 -475 -29 -776 1477 1142 933 926 -9 288 -532 -132 -753 -941 -24 1752 446 -799 -628 -672 -522 1036 107 -851 608 -500 -265 -245 1296 843 783 -363 -1399 -251 369 11 -123 721 -507 2243 503 296 545 406 660 913 754 -142 59 -54 -95 -1124 -138 -978 -184 -91 -1461 -114 -1089 -756 12 1438 -856 1447 912 -14 -943 -782 -831 -1818 1265 -701 -253 -1967 3171 -327 367 -456 561 -1538 -316 -421 -1263 930 -931 -111 -115 1890 -448 -754 -1406 2488 -599 -1378 1209 909 -704 -798 -170 -1755 -387 1705 -974 1381 741 675 245 -122 -1287 3167 828 1556 1135 -339 538 263 1379 1725 1337 -1611 1248 -1862 1831 -1390 1253 1036 783 4 447 -317 -91 54 216 2909 -188 410 -2024 -1323 -2210 -1375 -921 -845 -1777 -649 -1391 -554 -33 -846 1498 1119 916 956 -11 347 -686 -176 -1004 -1207 -30 2040 533 -1003 -821 -905 -728 1488 162 -1346 965 -791 -405 -359 1823 1187 1130 -548 -2196 -395 574 17 -185 1050 -723 3076 703 430 834 647 1078 1518 1290 -254 108 -101 -180 -2142 -258 -1802 -329 -160 SS 20240623T115743.2Z 8940.498416 246 1 50.33 2 63.94 80.65 103.86 245.78 0.00 1 0.00 1 0 25 2.783e-02 6.997e-03 7.349e-03 1.599e-03 3.082705e-01 8.429571e-04 3.661956e-03 -6.000000e+00 1.682368e-02 232.90 -2.00 3.51 -2.00 318.03 0.00e+00 -2.334254e-04 1.483844e-04 1.144484e-04 -6.000000e+00 7.453201e-04 287.57 -2.00 20.00 -2.00 317.19 0.00e+00 2.262 0.000 302.00 328.00 3 3.9273e+00 2.2810e-03 2.7985e-02 -6.0000e+00 4.2218e-02 -8.3066e-03 2.5749e-03 1.6332e-02 -6.0000e+00 4.5524e-02 8.8615e-03 1.5996e-03 7.8837e-03 -6.0000e+00 2.7111e-02 -7.6790e-03 7.9896e-04 2.1380e-03 -6.0000e+00 1.1334e-02 7.4515e-04 -4.0737e-04 5.0150e-05 2.6250e-05 -6.0000e+00 8.3144e-04 2.0652e-03 0.0000e+00 11 8 0 10 0 0 99.98 22.77 0.29 0.00207 -0.00100 142 27 1 5 0 354.340 26.11 20.02 22.77 32.16 37.9 1100.00 -3047 -9532 10211 -14163 917 -1791 -3211 12745 -2223 -1719 -10317 3033 -5208 -844 5456 1097 -5292 5509 4087 2144 -1921 8 3037 -4476 1442 -2969 6869 -2164 66 -2090 840 2814 -380 -1372 -1583 5127 -2003 398 738 946 -2119 -1109 -2525 -2137 -925 126 -1715 -448 45 559 897 -55 -264 1861 1367 330 1440 662 1043 694 1311 2274 995 130 -407 -1143 687 144 1456 1092 460 -193 174 -897 -54 -250 575 1300 876 40 -575 13 -1480 -879 -1286 -642 -985 -239 -463 -283 -188 161 256 1255 1310 884 657 575 -173 -808 -436 -921 94 819 305 -967 -414 -745 -153 323 14 -351 -262 -166 -103 487 646 974 590 -306 -782 -393 -51 40 184 25 202 1295 911 114 485 172 386 484 416 -226 -307 319 -477 -504 -384 -209 -81 21 -202 -749 704 -1201 63 -120 -223 842 -188 -155 -1035 277 -557 -98 685 160 -878 868 682 379 -362 2 564 -925 301 -676 1459 -486 14 -436 174 619 -93 -358 -414 1229 -524 113 244 362 -928 -514 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