File name: Pandora64s1_NewHavenCT_20240715_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240716T050703.4Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240715_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: 20240715 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 20240715T121305.9Z 8962.509096 128 1 9.52 2 62.18 85.11 155.86 15.61 0.00 1 0.00 1 0 17 1.277e-02 7.278e-03 3.085e-03 9.697e-04 3.008320e-01 5.248044e-04 3.578728e-03 -6.000000e+00 7.851812e-03 232.93 -2.00 3.52 -2.00 317.28 0.00e+00 4.418145e-04 7.628216e-05 1.384750e-04 -6.000000e+00 3.499823e-04 289.35 -2.00 20.00 -2.00 316.44 0.00e+00 2.132 0.000 302.00 328.00 3 2.0945e+00 1.3961e-03 2.6757e-02 -6.0000e+00 1.9702e-02 -1.0376e-02 1.5616e-03 1.5872e-02 -6.0000e+00 2.1212e-02 -6.4599e-03 9.2807e-04 7.6571e-03 -6.0000e+00 1.2631e-02 -2.0381e-03 4.4969e-04 2.0933e-03 -6.0000e+00 5.3333e-03 5.3506e-03 1.0898e-04 3.0131e-05 2.5143e-05 -6.0000e+00 3.8031e-04 1.1074e-02 -5.2730e-05 12 9 1 12 9 1 99.80 21.42 0.16 0.01107 0.01189 74 92 1 5 0 126.820 25.90 19.97 21.42 31.99 40.4 1063.17 238 75 -1436 -2928 -8565 -1139 -778 2176 -713 -246 -4027 -1155 -1102 445 544 1135 -920 1626 -148 1961 -237 282 333 1037 71 1048 -228 -782 -1382 426 1586 -287 1688 -1105 -4542 -1829 -1404 -719 124 -26 -1218 -695 -155 -977 -288 -191 -653 -262 -492 -483 1473 -56 1213 1276 333 668 979 266 286 398 1006 1341 1365 2181 358 -957 -140 -998 1412 1400 318 187 -62 326 81 -876 -918 -1899 -289 -575 -1265 -803 -2144 -1677 -238 -215 274 258 1005 361 390 525 -641 357 909 305 -119 917 213 -665 -501 -1511 -1662 441 -92 -1386 -235 -692 -308 288 733 158 196 241 -125 217 566 2 479 207 -353 -306 598 -2 1043 682 -594 1007 924 299 379 -563 -563 -170 279 -251 -364 452 10 -350 60 -730 24 8 -155 -318 -922 -117 -87 242 -89 -31 -536 -165 -181 83 114 255 -203 370 -35 480 -59 71 88 288 21 311 -66 -215 -371 117 468 -92 577 -378 -1539 -644 -518 -311 59 -14 -701 -388 -88 -560 -165 -109 -367 -155 -291 -279 898 -37 833 866 232 478 705 190 203 287 761 1033 1127 1857 296 -749 -112 -775 1196 1244 302 181 -59 291 70 -695 -727 -1526 -239 -506 -1245 -818 -2325 -1833 -276 -252 332 316 1202 428 428 559 -654 372 978 365 -150 1194 282 -853 -628 -1788 -1951 545 -117 -1849 -315 -973 -441 434 1095 242 287 342 -174 294 785 3 688 307 -527 -446 877 -3 1450 908 -783 1376 1300 448 570 -875 -870 -276 460 -428 -614 769 16 -592 98 -1212 SS 20240715T122204.0Z 8962.515324 134 1 48.39 2 60.50 86.52 155.39 20.43 0.00 1 0.00 1 0 17 1.161e-02 7.103e-03 1.069e-03 3.760e-04 2.852952e-01 2.039403e-04 3.392297e-03 -6.000000e+00 7.138306e-03 232.93 -2.00 3.52 -2.00 317.05 0.00e+00 3.963524e-04 2.790451e-05 1.216283e-04 -6.000000e+00 3.181518e-04 289.35 -2.00 20.00 -2.00 316.21 0.00e+00 2.022 0.000 302.00 328.00 3 1.9653e+00 5.4075e-04 2.5363e-02 -6.0000e+00 1.7912e-02 -1.0329e-02 6.0361e-04 1.5021e-02 -6.0000e+00 1.9284e-02 -3.1201e-03 3.5467e-04 7.2396e-03 -6.0000e+00 1.1483e-02 -3.5908e-03 1.6937e-04 1.9763e-03 -6.0000e+00 4.8489e-03 6.9370e-03 2.2874e-04 1.1716e-05 2.4646e-05 -6.0000e+00 3.4573e-04 1.1005e-02 -3.8300e-05 11 8 0 10 0 0 99.97 21.42 0.19 0.01101 0.01272 516 124 1 5 0 93.760 25.90 19.97 21.42 32.47 40.4 1065.60 815 -536 102 -3615 -6276 -2124 -252 618 1019 -463 -3827 -1198 131 -348 1021 390 -795 1138 310 1801 612 -273 1144 948 301 1186 -147 -1118 -743 471 1839 76 2139 -1248 -4313 -1942 -1694 -888 182 -173 -1121 -922 -368 -1015 -224 -279 -749 -236 -709 -118 1192 194 863 1112 101 799 887 470 171 483 727 1375 1255 2121 191 -872 10 -1087 1321 1400 251 469 -149 567 -82 -660 -740 -1774 -274 -524 -1207 -733 -2066 -1560 -285 -328 219 214 902 376 544 452 -504 438 980 165 -116 966 100 -650 -603 -1566 -1535 421 -40 -1363 -257 -792 -183 293 614 109 169 96 -66 169 632 -165 576 225 -172 -277 563 -58 1108 670 -659 791 847 324 432 -491 -497 -202 457 -259 -375 321 20 -391 130 -780 100 -70 13 -436 -727 -242 -31 84 149 -70 -604 -186 23 -70 229 94 -202 299 85 506 174 -73 317 278 92 369 -45 -323 -225 135 561 25 750 -440 -1498 -702 -692 -395 95 -94 -657 -561 -228 -632 -139 -172 -454 -141 -424 -73 780 127 595 801 75 604 676 356 128 368 549 1114 1029 1788 165 -712 8 -879 1098 1286 233 443 -138 523 -69 -542 -572 -1388 -233 -474 -1152 -760 -2165 -1730 -320 -390 270 266 1095 431 604 489 -520 461 1060 189 -147 1255 133 -832 -757 -1854 -1803 521 -51 -1818 -343 -1110 -259 438 944 165 245 135 -91 226 863 -228 847 330 -253 -399 815 -80 1521 882 -858 1068 1170 476 634 -743 -778 -318 759 -430 -636 550 35 -645 215 -1265 SS 20240715T122628.0Z 8962.518379 137 1 48.34 2 59.68 87.22 155.12 22.73 0.00 1 0.00 1 0 17 1.132e-02 7.076e-03 1.280e-03 4.511e-04 2.781528e-01 2.449566e-04 3.314063e-03 -6.000000e+00 6.962009e-03 232.93 -2.00 3.52 -2.00 317.09 0.00e+00 3.378467e-04 3.387439e-05 1.182448e-04 -6.000000e+00 3.102623e-04 289.35 -2.00 20.00 -2.00 316.25 0.00e+00 1.972 0.000 302.00 328.00 3 2.3449e+00 6.4951e-04 2.4750e-02 -6.0000e+00 1.7470e-02 -9.4250e-03 7.2437e-04 1.4666e-02 -6.0000e+00 1.8807e-02 -4.6412e-04 4.2607e-04 7.0642e-03 -6.0000e+00 1.1199e-02 -4.5639e-03 2.0363e-04 1.9231e-03 -6.0000e+00 4.7294e-03 5.0306e-03 3.2409e-04 1.4102e-05 2.4051e-05 -6.0000e+00 3.3716e-04 1.0831e-02 -2.4452e-05 11 9 0 11 8 0 99.95 21.43 0.20 0.01083 0.01327 445 107 1 5 0 108.600 25.90 20.02 21.43 32.69 40.4 1067.15 371 -507 -112 -3433 -6487 -1276 277 846 1052 -674 -3223 -629 346 -19 1041 266 -675 817 314 1480 597 -184 1008 652 414 1182 131 -1131 -677 167 1652 -167 2226 -1476 -4094 -2043 -1405 -1086 277 -191 -1163 -970 -240 -1212 -330 -407 -904 -242 -774 -217 1221 904 781 1030 2 816 872 502 243 414 826 1353 1290 2156 256 -959 -34 -1176 1314 1395 210 433 -196 585 -82 -793 -804 -1805 -358 -599 -1200 -701 -2156 -1483 -311 -291 226 259 960 376 584 416 -538 464 887 229 -143 941 191 -587 -580 -1531 -1475 413 -70 -1289 -239 -768 -155 305 648 154 192 72 13 139 626 -132 564 178 -239 -303 559 -167 1095 606 -633 792 872 342 405 -525 -527 -213 481 -279 -385 330 33 -362 177 -690 46 -66 -15 -416 -758 -145 34 115 155 -103 -506 -97 60 -4 232 64 -170 213 85 413 168 -53 299 189 125 363 39 -349 -201 51 535 -54 762 -509 -1385 -721 -558 -471 140 -109 -664 -574 -144 -734 -199 -244 -533 -140 -448 -129 771 606 554 715 1 594 640 365 175 304 637 1120 1074 1845 213 -797 -27 -965 1104 1295 197 412 -183 546 -71 -660 -629 -1429 -308 -544 -1148 -728 -2259 -1641 -366 -344 276 321 1160 429 647 450 -555 487 955 273 -180 1206 249 -741 -720 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