File name: Pandora64s1_NewHavenCT_20231005_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231006T185635.5Z 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_20231005_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: 20231005 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 20231005T124142.8Z 8678.528968 289 1 48.23 2 71.09 114.69 36.55 262.09 0.00 1 0.00 1 0 17 2.877e-02 8.189e-03 1.251e-02 2.019e-03 3.607695e-01 1.074730e-03 4.331736e-03 -6.000000e+00 1.734893e-02 227.02 -2.00 3.52 -2.00 318.46 0.00e+00 6.698067e-04 2.186788e-04 4.076012e-04 -6.000000e+00 7.753504e-04 285.25 -2.00 20.00 -2.00 317.70 0.00e+00 3.048 0.000 302.00 328.00 3 4.0340e+00 2.9077e-03 3.5704e-02 -6.0000e+00 4.2976e-02 3.3076e-02 3.3123e-03 1.8832e-02 -6.0000e+00 4.6464e-02 -4.8013e-03 2.2058e-03 9.2749e-03 -6.0000e+00 2.7737e-02 -3.0437e-03 1.1394e-03 2.6337e-03 -6.0000e+00 1.1842e-02 2.8986e-04 -4.1148e-04 6.3304e-05 3.1828e-05 -6.0000e+00 8.5549e-04 -3.8339e-03 1.0465e-05 11 8 0 10 0 0 99.96 21.57 0.10 -0.00383 -0.00693 36 9 1 5 0 1339.470 26.11 20.00 21.57 26.36 38.4 1025.21 -3834 -5679 -1726 -9381 -17689 -7006 -4525 -10960 2777 -6319 -9251 -4056 -5926 -6524 -598 67 -77 4951 -3612 2083 -333 1803 1771 4381 1555 1197 -1292 -1543 -2660 -5181 380 486 2051 843 -5221 -3362 -2601 -899 35 324 -776 -165 426 -1628 176 1097 -738 275 -1537 -1379 962 1329 786 1409 1049 952 844 190 641 107 275 1259 2132 2347 1613 -1025 -555 -1173 905 1652 663 585 -143 584 -681 -1388 -170 -2587 -671 -347 -996 -1129 -2020 -2189 -252 -654 520 135 1312 598 311 107 -939 -180 455 669 77 1339 524 -1005 -403 -1335 -2204 135 100 -1565 -379 -559 -61 403 1293 515 302 177 -450 -167 373 -451 444 328 20 61 559 291 719 863 -1223 569 873 139 392 -747 -611 -298 576 -203 -530 533 444 -311 -96 -694 -182 -295 -88 -475 -905 -329 -226 -657 160 -417 -638 -279 -488 -631 -63 8 -9 615 -509 290 -48 256 266 682 261 198 -228 -258 -439 -917 70 92 423 176 -1099 -732 -635 -255 11 118 -307 -68 180 -705 76 467 -316 117 -671 -626 441 652 412 778 597 558 503 113 373 63 163 805 1465 1703 1150 -704 -373 -804 674 1305 562 509 -122 472 -511 -994 -114 -1776 -499 -279 -864 -1082 -1986 -2282 -278 -736 604 160 1513 657 330 106 -930 -182 480 754 93 1758 687 -1337 -500 -1607 -2606 165 126 -2095 -512 -798 -89 631 2030 812 475 261 -648 -232 527 -650 677 518 32 95 837 429 1017 1214 -1707 792 1313 217 623 -1237 -1047 -519 1022 -376 -1003 1016 839 -569 -175 -1229 SS 20231005T125132.5Z 8678.535793 292 1 48.29 2 69.43 116.60 38.34 263.95 0.00 1 0.00 1 0 17 8.578e-02 1.467e-02 1.550e-02 2.971e-03 3.350251e-01 1.579134e-03 3.993081e-03 -6.000000e+00 5.188746e-02 227.02 -2.00 3.52 -2.00 318.25 0.00e+00 2.534819e-03 3.022735e-04 5.275645e-04 -6.000000e+00 2.311625e-03 285.25 -2.00 20.00 -2.00 317.50 0.00e+00 2.817 0.000 302.00 328.00 3 4.9014e+00 4.2507e-03 3.2967e-02 -6.0000e+00 1.2855e-01 7.7324e-02 4.8215e-03 1.7290e-02 -6.0000e+00 1.3883e-01 -3.1633e-02 3.0979e-03 8.7947e-03 -6.0000e+00 8.2889e-02 8.3167e-03 1.5821e-03 3.3986e-03 -6.0000e+00 3.5493e-02 1.5415e-04 2.8722e-03 9.3424e-05 3.6052e-05 -6.0000e+00 2.5432e-03 -7.8730e-03 6.9771e-04 12 9 8 11 8 0 99.95 21.57 -0.05 -0.00787 0.01371 22 5 1 5 0 2194.580 26.11 20.00 21.57 26.96 38.1 1028.32 6554 6134 -4801 5840 -92888 7881 -1435 -7874 3292 921 -12676 -2769 -7332 2015 4705 6923 -1499 8807 1884 10800 5675 8403 8036 7259 1043 4312 -2461 -476 -489 -8140 3243 1789 5747 3894 -2498 -2629 -201 -770 1299 726 -488 -785 514 -1745 772 1347 1273 571 1601 -2477 1942 3572 1662 1355 1745 -547 1773 -947 749 -232 174 985 1597 3086 2462 -1644 -14 -608 555 1301 935 577 -271 -478 -12 -1571 365 -2914 -1734 -367 -1741 -1813 -1991 -2445 -557 -1147 102 125 1037 647 -171 -55 -1791 -984 182 442 -287 768 1030 -515 -627 -1508 -2812 461 -33 -1617 -255 338 92 1130 1127 446 109 894 -308 -602 237 -334 298 960 -100 238 999 486 1101 802 -1416 1363 1081 375 378 -545 -1035 -163 231 12 -192 215 233 -501 -411 -965 364 366 -326 329 -12230 422 -86 -555 226 67 -1065 -232 -752 220 577 915 -215 1213 289 1577 880 1260 1261 1207 192 789 -475 -85 -85 -1594 624 377 1277 882 -569 -626 -52 -236 441 282 -206 -347 232 -810 352 613 572 258 716 -1194 966 1868 894 772 1012 -332 1065 -578 443 -140 110 673 1120 2253 1762 -1145 -10 -430 410 1064 781 496 -229 -402 -9 -1161 249 -2047 -1266 -300 -1536 -1763 -1967 -2564 -617 -1300 119 149 1204 742 -183 -56 -1776 -990 189 509 -355 993 1363 -666 -792 -1778 -3405 552 -43 -2118 -349 483 136 1758 1769 700 170 1296 -438 -832 332 -493 449 1491 -156 364 1474 711 1536 1117 -1958 1926 1592 570 605 -905 -1722 -283 410 22 -360 409 438 -913 -724 -1710 SS 20231005T131217.4Z 8678.550201 302 1 48.30 2 66.01 120.79 42.13 267.59 0.00 1 0.00 1 0 17 1.188e-02 7.345e-03 6.969e-04 2.281e-04 2.937275e-01 1.215468e-04 3.559867e-03 -6.000000e+00 7.160883e-03 227.02 -2.00 3.52 -2.00 317.20 0.00e+00 3.187021e-04 1.731867e-05 1.116775e-04 -6.000000e+00 3.200383e-04 285.24 -2.00 20.00 -2.00 316.44 0.00e+00 2.442 0.000 302.00 328.00 3 6.0582e-01 3.1891e-04 2.8697e-02 -6.0000e+00 1.7739e-02 -4.6536e-03 3.5754e-04 1.5201e-02 -6.0000e+00 1.9179e-02 2.9843e-03 2.1359e-04 7.4540e-03 -6.0000e+00 1.1449e-02 -4.7541e-03 1.0420e-04 2.0969e-03 -6.0000e+00 4.8877e-03 1.7974e-02 -3.7731e-04 7.0842e-06 2.6401e-05 -6.0000e+00 3.5314e-04 -3.9250e-03 -8.5157e-06 11 8 0 10 0 0 98.41 21.62 0.21 -0.00393 -0.00676 1322 318 1 5 0 36.530 26.11 19.95 21.62 28.85 38.6 1038.85 662 -1159 101 -3694 -5862 -2776 -1069 -392 289 -889 -4086 -2403 -505 -453 873 676 -690 725 247 1339 686 -743 615 624 266 870 237 -1320 -957 -201 1481 -89 2115 -299 -4425 -2353 -1657 -1029 237 136 -832 -935 -143 -764 -281 112 -613 -47 -632 -151 1200 808 809 1503 357 880 1188 676 221 519 642 1392 1293 2193 589 -1267 -191 -1334 672 1590 248 384 -206 509 42 -775 -694 -1762 -481 -280 -1145 -720 -1991 -2042 -553 -538 6 114 808 470 387 505 -575 133 935 381 -130 1035 566 -499 -410 -1429 -1669 174 386 -1357 -302 -783 -290 266 706 288 226 162 -99 -87 542 -225 516 278 -168 -348 621 17 946 957 -757 597 1031 395 547 -429 -599 -327 442 -133 -525 292 139 -449 41 -688 73 -138 12 -415 -623 -290 -119 -49 39 -126 -598 -346 -82 -84 182 153 -165 181 64 330 172 -189 162 174 78 260 70 -371 -258 -55 436 -28 719 -103 -1505 -824 -649 -437 118 72 -476 -558 -82 -440 -162 64 -369 -28 -376 -92 728 524 554 1015 249 628 856 484 157 373 483 1125 1061 1869 493 -1004 -154 -1094 564 1396 234 371 -196 460 37 -622 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