File name: Pandora75s1_EssexMD_20250113_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20250114T052005.5Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20250113_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: 20250113 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 20250113T171426.1Z 9144.718358 439 1 13.26 2 60.66 179.91 115.10 1.95 0.00 1 0.00 1 0 25 2.320e-02 9.795e-03 1.073e-02 4.080e-03 2.635631e-01 2.157190e-03 3.100502e-03 -6.000000e+00 1.392216e-02 223.86 -2.00 3.48 -2.00 316.84 0.00e+00 5.767871e-04 2.756855e-04 2.371656e-04 -6.000000e+00 6.039112e-04 276.79 -2.00 20.00 -2.00 316.26 0.00e+00 2.032 0.000 302.00 328.00 3 4.8957e+00 5.5967e-03 2.4010e-02 -6.0000e+00 3.4330e-02 3.1492e-02 6.2439e-03 1.2976e-02 -6.0000e+00 3.7159e-02 -2.9569e-03 3.7291e-03 6.4715e-03 -6.0000e+00 2.2119e-02 -8.3408e-03 1.8194e-03 1.9489e-03 -6.0000e+00 9.5597e-03 3.8089e-04 2.6735e-03 1.2943e-04 2.3296e-05 -6.0000e+00 7.1712e-04 -3.7225e-02 7.7633e-04 12 9 9 12 41 1 96.90 23.06 0.68 -0.03722 -0.01713 3 3 1 5 0 3313.210 25.90 19.99 23.06 15.54 5.8 935.65 900000 -2606 -6478 6049 -12898 -310 2115 2175 -844 -5140 -9073 -6870 2716 6528 -2958 457 1343 -1751 4204 3952 3155 1225 0 527 -1468 1992 1494 3139 652 -5207 1205 -454 789 -1796 -1149 -2340 -5563 -1535 -70 -704 -1362 -67 31 -743 118 1613 1046 -1276 -416 -989 1145 -316 1727 2254 766 955 1365 -713 130 177 260 2113 2258 1628 778 -824 211 -583 897 2336 606 717 363 340 427 -192 -1868 -2120 -1953 -1384 -1761 -3264 -1742 -1627 -378 -748 245 662 1127 1011 224 -355 22 -1564 -846 429 207 1038 392 88 -912 -2075 -88 -819 -826 -939 -678 180 917 1101 1013 440 -81 159 -475 58 392 177 172 474 582 401 884 187 362 62 -146 112 -589 -288 131 -823 171 69 -30 275 434 930 -241 -513 -289 -1155 900000 -369 -994 794 -1867 -37 254 285 -126 -857 -1602 -1216 478 1262 -716 108 335 -470 1106 1077 885 351 0 162 -483 656 497 984 197 -1636 370 -153 281 -678 -417 -845 -2222 -676 -33 -388 -836 -39 19 -462 73 976 627 -766 -264 -636 696 -207 1177 1608 574 730 1054 -561 100 136 205 1623 1869 1432 689 -699 166 -454 726 2067 554 685 348 314 394 -162 -1570 -1715 -1644 -1194 -1706 -3295 -1855 -1830 -420 -890 304 840 1422 1227 255 -397 23 -1607 -908 499 252 1288 512 113 -1122 -2556 -102 -985 -1060 -1202 -909 251 1265 1607 1546 678 -120 221 -653 75 508 240 248 678 848 578 1308 267 490 80 -194 151 -799 -414 187 -1216 257 108 -47 449 728 1582 -415 -862 -468 -1831 SS 20250113T180021.1Z 9144.750245 470 1 31.48 2 61.58 192.07 114.10 12.69 0.00 1 0.00 1 0 17 2.845e-02 9.936e-03 7.769e-03 2.703e-03 2.709065e-01 1.423411e-03 3.260170e-03 -6.000000e+00 1.702149e-02 223.86 -2.00 3.48 -2.00 317.03 0.00e+00 1.293144e-03 1.912191e-04 2.438381e-04 -6.000000e+00 7.382298e-04 276.79 -2.00 20.00 -2.00 316.45 0.00e+00 2.091 0.000 302.00 328.00 3 4.9939e+00 3.6997e-03 2.4803e-02 -6.0000e+00 4.1968e-02 4.2247e-02 4.1386e-03 1.3554e-02 -6.0000e+00 4.5455e-02 -7.1682e-03 2.4820e-03 6.7782e-03 -6.0000e+00 2.7072e-02 -6.8640e-03 1.2137e-03 2.0869e-03 -6.0000e+00 1.1590e-02 3.1785e-04 -8.7560e-04 8.5277e-05 2.5669e-05 -6.0000e+00 8.7475e-04 -2.8188e-02 2.1961e-04 12 9 9 12 1 1 99.75 23.17 0.84 -0.02819 -0.03477 8 2 1 5 0 3497.730 26.00 20.01 23.17 15.17 5.7 931.86 -17808 -2059 2656 -1780 -16548 -337 -3414 1532 -6696 -5465 -10060 -1220 -1440 1624 -1102 -371 562 -800 8158 2334 4410 4060 1034 1317 -1391 1717 4120 -720 732 -134 1433 552 336 -2187 29 -1664 -5495 -3695 594 -1969 -347 -511 160 365 416 554 45 75 -100 495 -69 -53 2184 2482 532 421 693 -264 625 -121 1178 1748 2010 537 641 -767 -851 -1179 927 2632 -26 1215 566 948 -277 -661 -2572 -2433 -1391 -2412 -1239 -3018 -1105 -1386 -535 -310 423 520 731 1321 -151 -85 -793 -1057 -1096 379 338 720 945 -178 -1049 -1583 -148 -1232 -987 -1213 46 472 657 817 981 699 158 -58 -295 -345 -253 263 556 717 136 947 1131 647 467 -291 -46 -802 259 -450 -120 -876 26 147 -225 161 567 643 -52 28 -844 -1010 -2398 -264 338 -229 -2250 -37 -394 184 -960 -822 -1612 -184 -241 302 -241 -89 143 -196 2099 598 1128 1044 279 369 -420 519 1220 -214 223 -41 449 171 112 -773 10 -557 -2053 -1556 284 -1026 -196 -305 98 227 259 343 27 45 -59 295 -43 -35 1514 1665 376 304 506 -194 449 -88 868 1370 1697 452 537 -661 -691 -944 767 2376 -25 1175 550 884 -243 -568 -2061 -1873 -1107 -2157 -1138 -3105 -1194 -1482 -606 -373 498 630 881 1623 -174 -91 -844 -1104 -1206 422 418 913 1252 -235 -1316 -1983 -175 -1516 -1212 -1580 62 667 921 1212 1520 1092 240 -82 -413 -460 -336 363 815 1041 203 1381 1602 938 644 -386 -58 -1050 356 -662 -174 -1320 39 235 -359 269 967 1115 -90 47 -1397 -1622 SS 20250113T181258.8Z 9144.759014 479 1 19.41 2 62.16 195.34 113.55 15.58 0.00 1 0.00 1 0 17 2.033e-02 7.985e-03 9.484e-03 2.689e-03 2.759363e-01 1.403524e-03 3.348859e-03 -6.000000e+00 1.216016e-02 223.86 -2.00 3.48 -2.00 317.50 0.00e+00 1.007727e-03 2.122223e-04 3.080050e-04 -6.000000e+00 5.273962e-04 276.79 -2.00 20.00 -2.00 316.90 0.00e+00 2.130 0.000 302.00 328.00 3 4.2581e+00 3.6760e-03 2.5316e-02 -6.0000e+00 2.9982e-02 3.8014e-02 4.1256e-03 1.3903e-02 -6.0000e+00 3.2473e-02 -1.0248e-02 2.5392e-03 6.9650e-03 -6.0000e+00 1.9341e-02 -6.5368e-03 1.2738e-03 2.0760e-03 -6.0000e+00 8.2802e-03 6.3657e-04 -1.0263e-03 8.5423e-05 2.6470e-05 -6.0000e+00 6.2493e-04 -2.8483e-02 2.0415e-04 12 9 1 12 25 1 99.55 23.20 0.54 -0.02848 -0.03620 10 5 1 5 0 1764.410 26.00 20.00 23.20 15.66 5.8 936.33 -2160 -5664 777 -5101 1189 -6288 -7538 -2129 -7604 -4057 -5947 -8203 -5385 -4687 956 1618 -117 3153 1322 1343 2447 2632 2073 1311 456 1255 -99 -1342 59 695 -789 1891 -2060 -142 -3598 -2992 -2812 -2393 -1149 -1088 -435 -229 358 -44 -218 -450 -179 -136 -58 -325 859 1272 1012 1949 1233 510 1234 575 357 898 502 2118 2495 1997 336 -420 -727 -631 424 1054 484 1166 913 245 178 -1160 -2002 -1578 -1679 -1697 -1715 -2094 -1558 -1390 -807 -177 237 516 692 957 420 -94 -899 -394 -604 -140 426 466 397 -13 -796 -1407 -1036 -996 -1178 -1113 -754 -76 636 964 1159 564 559 -357 -380 316 31 135 550 268 27 330 664 727 321 271 -150 585 397 -55 99 -547 -399 254 -42 217 47 376 -25 -324 -484 -798 -195 -591 79 -534 107 -574 -716 -209 -871 -478 -727 -1056 -744 -737 163 305 -24 652 290 305 560 602 486 324 119 337 -27 -355 15 168 -203 511 -623 -44 -1105 -900 -906 -882 -495 -495 -217 -120 193 -24 -120 -248 -97 -73 -30 -172 473 744 629 1263 833 355 864 404 248 619 358 1591 2017 1573 269 -348 -570 -486 341 857 431 1078 846 220 148 -970 -1546 -1167 -1299 -1462 -1516 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