File name: Pandora64s1_NewHavenCT_20230705_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230708T122548.1Z 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_20230705_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: 20230705 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 20230705T175452.0Z 8586.746436 6 1 48.09 2 22.25 218.02 153.97 314.29 0.00 1 0.00 1 0 17 1.006e-02 7.968e-03 1.246e-04 9.300e-05 1.561854e-01 5.157659e-05 1.904763e-03 -6.000000e+00 6.202250e-03 232.95 -2.00 3.52 -2.00 314.51 0.00e+00 2.928431e-04 4.048965e-06 1.685694e-05 -6.000000e+00 2.747806e-04 288.38 -2.00 20.00 -2.00 313.88 0.00e+00 1.080 0.000 302.00 328.00 3 3.9008e-01 1.3289e-04 1.3682e-02 -6.0000e+00 1.5570e-02 2.9198e-04 1.4596e-04 8.2217e-03 -6.0000e+00 1.6751e-02 1.6902e-03 8.3553e-05 3.9784e-03 -6.0000e+00 9.9692e-03 -3.6434e-03 3.6042e-05 1.0968e-03 -6.0000e+00 4.2182e-03 1.0605e-01 -3.1538e-04 2.8467e-06 1.6400e-05 -6.0000e+00 2.9969e-04 -5.6027e-03 -1.1566e-05 11 8 0 10 0 0 -5.31 21.28 0.25 -0.00560 -0.00797 3526 849 1 5 0 13.360 25.79 19.98 21.28 33.60 39.4 1079.15 1195 -783 492 -2622 -3391 -994 143 1340 1557 471 -2697 -1254 377 6 1094 528 -817 782 381 1545 1123 -361 811 808 407 1064 565 -848 -416 511 1848 118 2240 -12 -4114 -1897 -1380 -995 100 -96 -1232 -1281 -538 -1082 -609 -86 -838 -219 -732 -256 1114 967 667 1298 141 740 1002 548 171 459 545 1247 1010 1903 508 -1243 -168 -1331 750 1589 252 379 -200 622 300 -497 -518 -1695 -409 -171 -1147 -701 -1967 -1939 -446 -483 -28 37 750 408 381 528 -568 197 998 415 -80 1029 555 -475 -321 -1241 -1468 173 374 -1389 -298 -796 -360 175 624 281 193 146 -53 32 628 -248 483 350 -99 -269 566 -26 925 1061 -578 643 942 384 554 -435 -608 -359 429 -102 -536 227 77 -499 19 -680 459 -315 193 -1028 -1216 -347 53 537 623 193 -1107 -530 173 3 561 286 -452 440 206 850 620 -200 459 475 248 653 338 -474 -232 280 1040 70 1292 -7 -2456 -1081 -871 -684 76 -77 -1055 -1074 -457 -919 -512 -75 -706 -178 -578 -203 915 833 570 1146 127 675 919 500 155 420 520 1202 1028 1883 506 -1204 -152 -1204 725 1608 262 403 -211 623 291 -459 -464 -1484 -378 -166 -1168 -737 -2190 -2179 -510 -586 -34 45 907 487 436 577 -605 207 1056 459 -93 1277 676 -585 -373 -1423 -1666 207 458 -1728 -385 -1031 -485 236 858 378 255 184 -65 37 745 -311 622 456 -131 -352 746 -32 1144 1303 -692 780 1150 492 705 -565 -808 -478 600 -144 -772 332 113 -713 26 -961 SS 20230705T180112.7Z 8586.750841 9 1 49.33 2 23.01 221.27 154.74 317.00 0.00 1 0.00 1 0 17 1.010e-02 7.970e-03 1.276e-04 9.493e-05 1.571124e-01 5.264144e-05 1.915502e-03 -6.000000e+00 6.225089e-03 232.95 -2.00 3.52 -2.00 314.53 0.00e+00 2.788104e-04 4.145003e-06 1.800159e-05 -6.000000e+00 2.757923e-04 288.38 -2.00 20.00 -2.00 313.90 0.00e+00 1.086 0.000 302.00 328.00 3 4.2328e-01 1.3563e-04 1.3758e-02 -6.0000e+00 1.5628e-02 -1.0781e-03 1.4897e-04 8.2662e-03 -6.0000e+00 1.6813e-02 1.2143e-03 8.5270e-05 4.0007e-03 -6.0000e+00 1.0006e-02 -3.5020e-03 3.6817e-05 1.1014e-03 -6.0000e+00 4.2338e-03 1.0186e-01 -3.0606e-04 2.9061e-06 1.6550e-05 -6.0000e+00 3.0079e-04 -5.6555e-03 -1.2487e-05 11 8 0 10 0 0 17.61 21.29 0.25 -0.00566 -0.00796 3412 821 1 5 0 13.820 25.79 19.99 21.29 33.66 39.5 1079.69 1244 -755 522 -2649 -3409 -946 108 1371 1561 477 -2725 -1236 378 89 1037 589 -870 838 360 1593 1127 -326 799 848 380 1067 544 -831 -473 516 1812 137 2204 -9 -4158 -1907 -1403 -1012 150 -77 -1221 -1263 -516 -1063 -616 -98 -869 -244 -743 -255 1076 962 672 1303 118 741 1007 540 168 465 562 1247 1024 1930 527 -1246 -141 -1322 782 1602 274 362 -185 593 315 -510 -515 -1706 -395 -198 -1138 -723 -1939 -1937 -437 -458 -11 25 770 403 394 539 -546 202 1008 409 -71 1019 563 -465 -331 -1257 -1478 173 358 -1399 -298 -819 -365 165 620 269 193 146 -61 46 618 -243 468 339 -92 -269 556 -4 896 1051 -584 657 954 372 551 -425 -625 -346 428 -98 -543 229 62 -478 23 -659 473 -301 203 -1028 -1211 -327 39 545 619 194 -1108 -518 172 42 528 316 -478 467 206 869 618 -180 449 495 230 651 322 -492 -263 281 1015 81 1264 -5 -2470 -1153 -881 -693 113 -61 -1040 -1054 -436 -899 -516 -85 -730 -197 -585 -201 881 826 572 1146 106 673 920 491 151 424 535 1198 1040 1905 524 -1204 -128 -1193 754 1618 283 384 -194 592 305 -470 -461 -1491 -364 -192 -1158 -760 -2156 -2175 -500 -555 -13 31 930 480 450 588 -581 212 1066 452 -82 1266 686 -573 -385 -1443 -1678 206 439 -1742 -386 -1061 -492 222 853 362 255 185 -74 53 734 -306 605 443 -122 -353 734 -5 1111 1293 -700 799 1168 478 702 -553 -833 -461 601 -137 -784 335 91 -684 31 -935 SS 20230705T180731.1Z 8586.755221 12 1 49.37 2 23.82 224.32 155.46 319.82 0.00 1 0.00 1 0 17 1.007e-02 7.935e-03 1.333e-04 9.919e-05 1.577094e-01 5.503216e-05 1.928914e-03 -6.000000e+00 6.207527e-03 232.95 -2.00 3.52 -2.00 314.53 0.00e+00 2.922444e-04 4.332629e-06 1.875514e-05 -6.000000e+00 2.750077e-04 288.38 -2.00 20.00 -2.00 313.90 0.00e+00 1.093 0.000 302.00 328.00 3 5.1340e-01 1.4184e-04 1.3839e-02 -6.0000e+00 1.5584e-02 -2.3911e-03 1.5597e-04 8.3180e-03 -6.0000e+00 1.6765e-02 2.2905e-03 8.9198e-05 4.0266e-03 -6.0000e+00 9.9775e-03 -3.6430e-03 3.8411e-05 1.1090e-03 -6.0000e+00 4.2220e-03 9.2358e-02 -2.1322e-04 3.0375e-06 1.6577e-05 -6.0000e+00 2.9993e-04 -5.6828e-03 -6.6505e-07 11 8 0 10 0 0 84.66 21.27 0.25 -0.00568 -0.00729 2982 718 1 5 0 15.860 25.79 20.02 21.27 33.95 39.3 1080.87 1195 -751 487 -2612 -3395 -982 183 1275 1605 512 -2707 -1242 396 63 1067 516 -836 771 340 1505 1095 -348 828 855 409 1074 557 -861 -434 463 1800 121 2212 3 -4101 -1963 -1478 -1039 108 -90 -1232 -1300 -539 -1118 -633 -118 -843 -241 -740 -266 1131 924 632 1280 102 702 984 540 135 479 586 1267 1020 1941 508 -1238 -130 -1291 768 1631 246 388 -211 618 275 -480 -547 -1709 -410 -165 -1127 -699 -1963 -1926 -444 -455 -8 42 750 409 380 524 -581 185 1004 404 -70 1025 547 -469 -340 -1268 -1491 204 360 -1374 -302 -775 -366 183 630 270 179 113 -77 21 622 -228 488 352 -95 -259 576 -24 921 1059 -562 665 962 359 544 -423 -607 -348 429 -110 -539 222 73 -485 -4 -673 456 -300 191 -1018 -1211 -341 67 509 639 209 -1107 -523 181 30 546 279 -462 406 183 828 605 -193 469 503 249 660 333 -482 -243 254 1017 67 1281 2 -2304 -1125 -939 -719 82 -72 -1008 -1096 -461 -956 -536 -98 -715 -197 -589 -212 937 803 544 1140 93 646 911 497 124 443 537 1232 1001 1940 512 -1153 -119 -1181 715 1593 258 416 -225 625 270 -448 -495 -1514 -364 -154 -1163 -744 -2118 -2192 -515 -537 -10 52 919 494 441 555 -598 188 1079 454 -82 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