File name: Pandora32s1_GreenbeltMD_20230822_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20230823T090437.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20230822_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20230822 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 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20230822T121351.6Z 8634.509625 81 1 21.13 2 70.34 90.62 135.63 69.45 0.00 1 0.00 1 0 17 5.439e-02 7.112e-03 2.633e-02 3.651e-03 3.591280e-01 1.857070e-03 4.159066e-03 -6.000000e+00 3.140753e-02 231.12 -2.00 3.47 -2.00 318.60 0.00e+00 1.437759e-03 3.932342e-04 1.727947e-04 -6.000000e+00 1.413088e-03 290.46 -2.00 20.00 -2.00 317.73 0.00e+00 2.939 0.000 302.00 328.00 3 4.2095e+00 5.1074e-03 3.4577e-02 -6.0000e+00 7.8477e-02 -9.4917e-03 5.8561e-03 1.8682e-02 -6.0000e+00 8.4829e-02 -3.2319e-03 3.9328e-03 9.0918e-03 -6.0000e+00 5.0647e-02 -3.7088e-03 2.0552e-03 2.8426e-03 -6.0000e+00 2.1573e-02 2.8145e-04 3.3757e-04 1.0435e-04 2.8145e-05 -6.0000e+00 1.4506e-03 2.7088e-02 2.0226e-04 12 9 1 12 5 1 99.94 26.82 0.69 0.02709 0.02962 10 6 1 5 0 1905.450 31.19 25.01 26.82 27.18 3.2 1007.60 18908 -16928 -5835 -6449 -6798 -28626 26411 -5266 -18690 3510 -10687 -16078 538 425 17639 -4880 3520 5730 77 12698 -1610 -12542 5254 -2211 -601 576 3345 -1745 -3345 -2869 5077 -1979 -281 -5711 -6056 -2437 -5096 -552 -1385 481 -1774 397 -1291 1004 969 1298 1189 3154 -673 1927 1467 1821 3025 1027 661 660 -470 -870 1007 1233 747 896 1274 969 -333 -402 178 438 -360 504 -1115 -316 -839 -620 1193 -271 -526 -167 -153 -1247 -1356 -835 -1120 -1888 169 -145 524 397 -127 847 674 -66 -149 236 960 792 625 914 -320 -479 -838 -1177 546 -566 -1122 -1057 -206 -574 -309 274 300 308 -149 393 459 169 102 -28 679 -4 -308 -220 483 599 143 -169 381 756 -197 241 -166 -157 44 519 -264 10 -190 -313 327 112 168 -230 -667 606 -870 -286 -310 -299 -1457 835 -252 -1148 188 -662 -1082 35 33 1363 -528 380 640 10 1473 -221 -1902 687 -327 -94 93 535 -283 -523 -444 782 -362 -56 -1261 -1297 -488 -1110 -133 -399 159 -658 153 -521 405 394 530 486 1259 -277 788 634 845 1476 537 359 368 -270 -503 566 685 426 542 829 676 -240 -280 117 281 -245 375 -910 -267 -715 -515 929 -198 -357 -109 -103 -939 -1130 -753 -1075 -1891 175 -158 593 462 -149 968 736 -68 -145 225 953 851 730 1150 -428 -644 -1087 -1438 629 -666 -1396 -1374 -275 -793 -443 412 471 494 -236 601 668 237 142 -40 1012 -6 -489 -346 744 899 209 -241 525 1039 -286 369 -266 -258 73 889 -472 18 -357 -597 625 213 309 -414 -1184 SS 20230822T121945.6Z 8634.513722 84 1 48.54 2 69.20 91.55 134.61 70.74 0.00 1 0.00 1 0 17 2.391e-02 5.525e-03 7.701e-03 1.416e-03 3.421526e-01 7.202293e-04 4.006975e-03 -6.000000e+00 1.379972e-02 231.12 -2.00 3.47 -2.00 318.21 0.00e+00 9.285962e-04 1.355960e-04 1.773877e-04 -6.000000e+00 6.208870e-04 290.46 -2.00 20.00 -2.00 317.33 0.00e+00 2.787 0.000 302.00 328.00 3 3.5197e+00 1.9562e-03 3.2857e-02 -6.0000e+00 3.4481e-02 -1.3074e-02 2.2244e-03 1.7802e-02 -6.0000e+00 3.7278e-02 -1.5045e-03 1.4296e-03 8.6313e-03 -6.0000e+00 2.2256e-02 -4.6031e-03 7.3842e-04 2.4605e-03 -6.0000e+00 9.4757e-03 6.6563e-04 -1.7171e-04 4.0329e-05 2.5633e-05 -6.0000e+00 6.3770e-04 2.7632e-02 1.0106e-04 11 1 0 11 4 0 98.18 26.82 0.49 0.02763 0.02634 54 13 1 5 0 898.740 31.19 25.01 26.82 27.24 3.3 1008.60 -6469 -9658 -1804 -6226 -5701 -15499 8863 -4156 -1665 -6357 -5701 -4693 -3457 266 823 955 -218 1341 327 3811 1015 -1002 2354 -1512 1601 -534 1400 888 -1733 -474 2230 -497 653 -2751 -2617 -1819 -3297 -1838 -660 985 -1164 -576 -1670 78 197 313 -435 450 -359 -1207 592 1476 986 1581 742 1001 222 -27 376 372 1608 1266 1774 1590 356 -322 -243 553 827 508 -136 -173 -73 -101 -45 -466 -394 -988 -2 -1152 -1255 -875 -1881 -1141 -174 -630 -56 -48 184 694 641 333 9 492 695 166 469 641 182 -605 -310 -997 -344 -157 -952 -1002 -747 -496 59 417 358 323 355 169 303 440 142 51 -43 58 -719 26 395 264 542 109 34 929 156 296 86 -234 -64 136 -3 -29 2 -51 -55 -7 -9 -437 -278 -352 -615 -112 -393 -326 -916 436 -259 -115 -489 -441 -370 -303 26 94 123 -31 194 51 593 168 -168 390 -273 300 -107 279 172 -326 -87 425 -107 153 -698 -640 -427 -831 -524 -220 374 -492 -255 -768 36 91 146 -203 207 -165 -567 287 761 539 903 441 607 139 -17 232 227 993 827 1239 1183 272 -238 -170 379 591 399 -115 -153 -64 -88 -37 -360 -283 -688 -2 -909 -1087 -817 -1865 -1166 -185 -702 -65 -57 218 807 714 352 9 481 706 181 552 811 242 -812 -400 -1221 -402 -186 -1189 -1305 -1000 -684 84 621 555 511 554 256 435 608 195 72 -63 89 -1126 41 601 392 783 154 46 1264 224 445 135 -376 -104 227 -4 -53 4 -94 -102 -14 -16 -766 -480 SS 20230822T122919.2Z 8634.520361 90 1 48.58 2 67.34 93.09 132.94 72.76 0.00 1 0.00 1 0 17 1.590e-02 5.461e-03 4.269e-03 1.064e-03 3.186329e-01 5.408478e-04 3.740633e-03 -6.000000e+00 9.173819e-03 231.12 -2.00 3.47 -2.00 317.74 0.00e+00 5.661215e-04 8.837706e-05 1.217686e-04 -6.000000e+00 4.127626e-04 290.46 -2.00 20.00 -2.00 316.85 0.00e+00 2.574 0.000 302.00 328.00 3 3.2393e+00 1.4505e-03 3.0400e-02 -6.0000e+00 2.2922e-02 -7.6090e-03 1.6382e-03 1.6519e-02 -6.0000e+00 2.4783e-02 -2.5395e-03 1.0073e-03 7.9843e-03 -6.0000e+00 1.4796e-02 -3.8596e-03 5.0782e-04 2.2090e-03 -6.0000e+00 6.2990e-03 1.1145e-03 -2.4579e-04 3.0131e-05 2.3701e-05 -6.0000e+00 4.2396e-04 2.7759e-02 8.8672e-05 11 1 0 11 4 0 90.68 26.85 0.41 0.02776 0.02591 74 17 1 5 0 656.420 31.30 25.00 26.85 27.56 3.2 1010.15 -575 -6380 -2127 -5980 -3162 -8036 -1548 -21 -4146 -2191 -6736 -4857 -1612 -1382 3436 -557 364 138 977 3167 23 145 1469 -184 1084 301 969 -115 -362 -1116 1168 60 -99 -1035 -2770 -1755 -2430 -944 -844 278 -872 -668 -690 -654 311 207 -17 595 -678 -325 143 996 1315 1331 528 711 585 -234 438 594 1119 1678 1404 1488 229 -163 -147 172 872 640 63 58 -74 196 -21 -312 -475 -759 -980 -649 -1134 -1283 -1844 -1665 -494 -479 68 187 338 529 451 328 85 530 572 302 429 460 -31 -400 -479 -925 -299 16 -1077 -946 -632 -517 45 375 185 171 209 304 294 283 335 214 -9 -34 -457 159 352 293 440 52 208 1046 396 289 -78 -68 -49 175 122 -60 75 -8 2 -219 -99 -422 -496 -43 -571 -192 -541 -250 -623 -117 -2 -413 -230 -744 -537 -194 -178 495 -94 65 26 192 636 5 31 313 -42 263 78 250 -29 -85 -258 280 16 -27 -302 -787 -473 -703 -314 -341 122 -431 -350 -350 -337 159 107 -9 319 -363 -175 76 566 798 856 334 462 390 -157 287 385 737 1179 1086 1171 187 -126 -112 126 672 529 55 53 -69 175 -19 -250 -365 -553 -743 -522 -1044 -1245 -1842 -1746 -545 -541 81 220 399 636 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