File name: Pandora64s1_NewHavenCT_20230626_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230627T111416.0Z 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_20230626_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: 20230626 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 20230626T132542.2Z 8577.559517 193 1 47.89 2 46.81 95.80 129.31 47.69 0.00 1 0.00 1 0 17 2.629e-02 1.073e-02 4.592e-03 2.282e-03 2.110094e-01 1.242590e-03 2.549472e-03 -6.000000e+00 1.622285e-02 232.94 -2.00 3.52 -2.00 316.19 0.00e+00 7.693110e-04 1.370816e-04 1.191096e-04 -6.000000e+00 7.157494e-04 287.52 -2.00 20.00 -2.00 315.44 0.00e+00 1.459 0.000 302.00 328.00 3 5.9037e+00 3.2576e-03 1.8486e-02 -6.0000e+00 4.0739e-02 5.7575e-02 3.6121e-03 1.1135e-02 -6.0000e+00 4.3820e-02 -8.4221e-03 2.0752e-03 5.3727e-03 -6.0000e+00 2.6065e-02 4.4254e-04 9.4787e-04 1.5120e-03 -6.0000e+00 1.1032e-02 2.5802e-04 4.9702e-04 7.0824e-05 1.9078e-05 -6.0000e+00 7.8236e-04 -8.5829e-03 1.6693e-04 12 8 8 10 0 0 99.99 21.36 0.17 -0.00858 -0.00485 28 7 1 5 0 1710.170 25.90 20.01 21.36 28.90 38.1 1053.98 2159 130 3095 -1614 -26265 -716 1219 -2451 4507 -731 -2045 -1509 -181 -1097 3249 730 543 2000 705 1420 2419 738 3159 1253 1067 817 236 -1960 977 -465 3218 -306 3535 268 -4460 -2689 -1059 -1761 681 -66 -1081 -955 141 -766 -270 348 -503 -571 -1185 -1219 767 1572 863 1177 535 221 1321 -192 -54 237 266 1358 1498 2766 1082 -1256 -793 -949 251 1455 295 917 -1 489 -197 -904 -890 -2788 -2208 -167 -1528 -808 -2172 -1646 -171 -199 416 666 946 879 -120 258 -1870 -842 -324 542 -95 1263 1020 -315 -740 -1496 -2318 -395 67 -1341 -452 292 -159 968 1699 609 111 -88 -511 -511 126 -401 471 640 227 -85 917 141 1254 735 -1165 300 971 74 365 -570 -590 -521 733 -14 -32 378 298 -616 -311 -1042 434 28 640 -317 -5996 -126 225 -519 961 -168 -466 -362 -48 -328 970 238 181 684 250 517 875 269 1162 490 432 338 96 -753 346 -167 1180 -122 1448 112 -1821 -1122 -484 -944 395 -43 -761 -695 99 -536 -198 253 -356 -395 -806 -840 549 1176 641 911 422 178 1063 -155 -43 190 223 1208 1412 2526 1014 -1103 -661 -785 224 1351 294 930 -1 468 -185 -768 -740 -2300 -1839 -152 -1466 -838 -2396 -1810 -200 -246 533 865 1212 1064 -135 279 -1916 -855 -350 634 -116 1655 1301 -411 -914 -1737 -2664 -475 86 -1811 -606 403 -232 1400 2512 893 163 -119 -676 -651 163 -544 648 920 330 -122 1267 195 1642 923 -1432 375 1278 103 502 -803 -852 -785 1104 -23 -52 615 482 -976 -479 -1568 SS 20230626T133511.4Z 8577.566105 196 1 0.49 2 45.04 97.56 128.05 50.13 0.00 1 0.00 1 0 17 1.311e-02 9.000e-03 8.087e-03 5.313e-03 1.967699e-01 2.923323e-03 2.409203e-03 -6.000000e+00 8.086451e-03 232.94 -2.00 3.52 -2.00 315.16 0.00e+00 2.925468e-04 2.595277e-04 3.177895e-05 -6.000000e+00 3.569012e-04 287.52 -2.00 20.00 -2.00 314.48 0.00e+00 1.413 0.000 302.00 328.00 3 2.3562e+00 7.5719e-03 1.7670e-02 -6.0000e+00 2.0307e-02 1.0493e-02 8.3503e-03 1.0420e-02 -6.0000e+00 2.1847e-02 6.0352e-04 4.7663e-03 5.0432e-03 -6.0000e+00 1.2995e-02 -1.7746e-03 2.0918e-03 1.4000e-03 -6.0000e+00 5.4967e-03 9.8221e-03 -5.2114e-06 1.6264e-04 1.9865e-05 -6.0000e+00 3.9043e-04 -8.1141e-03 3.0367e-05 12 9 1 12 1 1 999.00 21.41 0.19 -0.00811 -0.00815 1 75 1 5 0 155.400 25.90 19.96 21.41 29.68 37.9 1058.02 928 -45 -1679 -5763 -5440 -1573 2242 -654 1980 899 -1068 -1702 -918 -256 1506 542 -495 324 36 2110 3345 -2070 1880 223 2070 -439 1784 -1465 159 567 3110 1195 1134 -246 -2376 -4036 -340 -1867 594 -260 -881 -779 492 -1296 -786 235 -649 -941 -607 83 723 636 1976 1747 -353 -731 -569 863 -199 150 59 1873 257 1346 -399 -334 458 -113 1260 2152 -759 59 -744 1035 979 769 -1745 -1757 -661 -19 -873 602 -2805 -2296 -42 -387 537 -98 312 479 410 401 -826 528 738 410 128 312 728 -194 -348 -1119 -727 -144 363 -1261 -609 -743 -385 65 542 374 267 -718 110 164 370 -968 156 32 47 -350 1056 113 1353 847 -301 330 1481 808 948 6 -829 482 262 -349 -382 -433 216 -313 -152 -1167 283 -14 -542 -1749 -1501 -440 645 -204 651 305 -361 -583 -347 -102 655 242 -227 153 18 1037 1629 -1011 916 115 1086 -232 930 -731 77 274 1543 604 613 -133 -1223 -2202 -192 -1197 407 -195 -681 -622 397 -1026 -638 187 -503 -713 -463 64 564 523 1621 1500 -304 -643 -505 748 -173 131 54 1745 250 1303 -386 -304 406 -100 1166 2127 -773 61 -764 1029 952 696 -1547 -1514 -586 -18 -892 624 -3069 -2569 -48 -461 662 -121 388 576 466 441 -876 552 800 461 154 387 915 -243 -421 -1311 -835 -171 449 -1605 -791 -982 -532 92 765 530 368 -943 139 205 459 -1243 208 43 65 -477 1416 148 1721 1060 -365 411 1882 1057 1256 8 -1135 681 376 -511 -570 -661 325 -460 -223 -1680 SS 20230626T143458.2Z 8577.607618 234 1 14.63 2 34.17 110.79 119.16 63.78 0.00 1 0.00 1 0 17 1.000e-02 7.861e-03 8.440e-04 6.155e-04 1.663522e-01 3.408839e-04 2.028997e-03 -6.000000e+00 6.167789e-03 232.94 -2.00 3.52 -2.00 314.63 0.00e+00 2.730785e-04 2.730686e-05 1.828917e-05 -6.000000e+00 2.722249e-04 287.52 -2.00 20.00 -2.00 314.00 0.00e+00 1.208 0.000 302.00 328.00 3 2.8214e+00 8.7909e-04 1.5020e-02 -6.0000e+00 1.5489e-02 1.9022e-02 9.6720e-04 8.7722e-03 -6.0000e+00 1.6663e-02 5.9498e-04 5.5295e-04 4.2439e-03 -6.0000e+00 9.9113e-03 -2.9284e-03 2.3892e-04 1.1688e-03 -6.0000e+00 4.1925e-03 8.0115e-03 -5.9700e-05 1.8853e-05 1.7125e-05 -6.0000e+00 2.9779e-04 -7.9520e-03 3.6284e-05 12 9 1 12 1 1 99.72 21.33 0.18 -0.00795 -0.00840 71 58 1 5 0 200.660 25.90 20.02 21.33 31.73 38.2 1069.48 923 -877 608 -2415 -3809 -1163 -50 1015 1427 737 -2370 -1424 570 -217 922 504 -804 900 293 1657 1190 -218 954 684 250 1080 766 -912 -452 376 1800 216 2195 397 -3874 -1714 -1464 -973 168 -32 -1214 -1430 -523 -1179 -729 -197 -977 -182 -744 -385 1124 951 650 1397 100 666 1007 614 252 447 604 1317 895 1899 439 -1376 -90 -1159 602 1637 79 356 -275 590 246 -448 -399 -1633 -351 -38 -1172 -689 -1890 -1970 -457 -472 -19 -4 749 413 367 538 -480 270 969 453 -13 934 458 -407 -373 -1237 -1501 236 399 -1324 -281 -737 -417 163 600 190 214 91 -64 -16 674 -241 535 317 -101 -308 646 82 978 1066 -550 597 980 379 528 -415 -593 -339 435 -117 -608 283 34 -569 -8 -640 337 -336 227 -902 -1309 -388 -18 390 546 289 -931 -580 251 -99 458 265 -433 493 154 888 642 -118 527 394 149 650 448 -501 -248 203 1000 119 1254 226 -2148 -967 -917 -663 126 -25 -983 -1196 -444 -1000 -613 -163 -824 -148 -589 -306 927 824 559 1241 91 613 931 564 229 412 552 1278 878 1899 424 -1288 -83 -1063 563 1604 83 368 -294 600 242 -420 -344 -1451 -313 -36 -1161 -738 -2052 -2257 -533 -560 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