File name: Pandora55s1_QueensNY_20240818_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240819T051647.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240818_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240818 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20240818T154239.1Z 8996.654619 333 1 1.01 2 32.57 143.66 160.76 345.52 0.00 1 0.00 1 0 25 9.372e-03 7.361e-03 3.051e-03 2.305e-03 1.618664e-01 1.245872e-03 1.987409e-03 -6.000000e+00 5.645691e-03 231.48 -2.00 3.51 -2.00 314.47 0.00e+00 2.417176e-05 9.866027e-05 4.315901e-05 -6.000000e+00 2.544808e-04 290.02 -2.00 20.00 -2.00 313.83 0.00e+00 1.186 0.000 302.00 328.00 3 2.1681e+00 3.1970e-03 1.4614e-02 -6.0000e+00 1.4105e-02 1.0776e-02 3.5250e-03 8.4621e-03 -6.0000e+00 1.5222e-02 4.4292e-03 2.0194e-03 4.1158e-03 -6.0000e+00 9.0821e-03 -3.4673e-03 8.7041e-04 1.1374e-03 -6.0000e+00 3.8413e-03 1.6030e-02 4.4263e-04 7.0547e-05 1.7794e-05 -6.0000e+00 2.8190e-04 1.1329e-02 0.0000e+00 12 9 1 12 5 5 66.56 18.46 0.24 0.01133 0.01466 5 57 1 5 0 166.930 26.21 19.98 18.46 31.44 38.3 1087.45 -877 -3172 -2886 -2161 1035 2419 2576 591 -610 -410 1372 1960 69 1027 -438 181 338 258 771 -387 822 721 682 172 1 -671 -1385 311 1759 1312 1663 1573 -342 -1011 306 -204 205 -5 -813 -1198 -852 -1578 -1380 -667 -1000 -1383 -73 -771 717 456 627 834 580 220 458 943 649 544 811 1533 940 1212 544 -671 -628 -86 169 1150 817 356 -728 -629 -373 -1018 -4 201 524 1573 503 586 -439 -1731 -1386 -849 -476 -837 -387 -740 -839 -59 347 297 1652 1205 1029 1340 704 -569 -326 -627 -73 -56 798 255 -594 -294 -821 -463 -68 -245 -435 -318 -286 -87 471 1072 526 1033 -27 -761 -194 -494 -353 121 208 638 1567 1002 191 358 411 329 292 412 -231 -171 -260 -444 -453 -305 -375 -232 182 -362 -1371 -1192 -857 366 839 969 237 -262 -177 576 853 32 493 -232 99 180 140 429 -223 469 411 398 101 1 -413 -826 179 988 727 954 907 -208 -606 173 -118 125 -3 -601 -956 -695 -1340 -1186 -570 -852 -1163 -61 -625 580 372 510 714 501 197 402 836 581 484 739 1396 862 1140 547 -678 -636 -83 155 1027 754 353 -758 -654 -385 -1053 -4 185 472 1337 449 553 -429 -1800 -1472 -944 -545 -995 -468 -923 -1041 -70 405 324 1744 1234 1058 1441 809 -697 -403 -768 -86 -63 899 289 -705 -357 -1049 -596 -91 -334 -598 -437 -388 -112 589 1291 630 1238 -33 -995 -261 -667 -465 157 265 791 1832 1204 233 446 517 422 380 537 -318 -240 -368 -644 -664 -441 -527 -325 249 SS 20240818T154639.0Z 8996.657396 336 1 51.00 2 32.13 145.29 160.91 348.16 0.00 1 0.00 1 0 17 3.293e-02 1.629e-02 6.129e-03 3.536e-03 1.709053e-01 1.883666e-03 2.020424e-03 -6.000000e+00 1.983762e-02 231.48 -2.00 3.51 -2.00 315.69 0.00e+00 -7.832717e-04 1.885722e-04 2.818789e-05 -6.000000e+00 8.940787e-04 290.02 -2.00 20.00 -2.00 314.91 0.00e+00 1.180 0.000 302.00 328.00 3 6.5603e+00 4.8974e-03 1.4793e-02 -6.0000e+00 4.9561e-02 3.4530e-02 5.4418e-03 8.8320e-03 -6.0000e+00 5.3483e-02 1.5788e-02 3.1058e-03 4.2615e-03 -6.0000e+00 3.1911e-02 -5.0476e-03 1.3861e-03 1.2534e-03 -6.0000e+00 1.3499e-02 1.9315e-04 2.4736e-04 1.0940e-04 1.6054e-05 -6.0000e+00 9.9041e-04 1.0317e-02 0.0000e+00 12 9 9 12 36 4 99.87 18.50 1.26 0.01032 0.01218 19 4 1 5 0 2683.710 26.21 20.01 18.50 31.79 38.4 1091.35 -8546 -3107 -13726 2780 2557 -2993 18651 6526 165 -4722 -1592 -4190 -2686 9847 -2204 -7041 4150 9718 3990 1245 904 2712 -3922 2041 -709 2145 -1697 -1789 -2326 -340 4086 -363 -3298 -1553 9265 -3558 -4106 2278 2649 -3042 1373 -3006 -834 -1490 3303 -3275 2674 671 1984 -736 -1463 -2455 4552 3501 735 3829 1254 3085 -353 568 2933 1233 -2106 1457 -3063 1984 -1850 488 50 -21 875 -753 -1742 -586 -671 986 2819 -1232 -2357 -4166 1044 -2088 -901 -2450 187 -2026 -296 -1394 666 -43 -558 267 499 227 133 -367 63 656 184 485 -493 46 1643 422 -2 -9 -711 496 2253 1150 -721 1045 103 -902 -906 -99 -1887 345 -197 -1234 -627 1599 2483 295 145 -1097 159 -566 -971 829 1086 748 732 787 -335 960 973 443 -1136 -556 -1137 -381 -1001 -2405 -853 -4009 646 552 -682 3774 1630 46 -1399 -456 -1278 -879 3168 -851 -2942 1608 3656 1619 527 388 1148 -1801 927 -342 1020 -806 -806 -996 -141 1689 -164 -1574 -720 3783 -1640 -2086 1256 1665 -2197 1012 -2355 -650 -1165 2482 -2551 1943 480 1378 -526 -1087 -1921 3501 2797 611 3160 1060 2564 -298 479 2494 1119 -2055 1416 -3009 1764 -1593 408 44 -20 880 -787 -1831 -593 -647 867 2273 -989 -1964 -3791 985 -2154 -962 -2747 216 -2494 -374 -1807 851 -54 -663 294 514 229 138 -405 74 818 238 620 -609 54 1856 492 -2 -11 -945 673 3106 1653 -1075 1547 149 -1250 -1182 -123 -2356 435 -261 -1720 -892 2241 3401 399 189 -1396 194 -688 -1216 1068 1439 1007 997 1093 -485 1429 1480 687 -1792 -867 -1746 -569 -1484 SS 20240818T155111.4Z 8996.660549 339 1 51.04 2 31.66 147.18 161.04 351.20 0.00 1 0.00 1 0 17 8.328e-03 6.641e-03 2.572e-04 1.856e-04 1.613549e-01 9.995112e-05 1.970032e-03 -6.000000e+00 5.016766e-03 231.48 -2.00 3.51 -2.00 314.71 0.00e+00 4.065398e-05 8.292389e-06 3.277438e-05 -6.000000e+00 2.261291e-04 290.02 -2.00 20.00 -2.00 314.04 0.00e+00 1.174 0.000 302.00 328.00 3 1.1885e+00 2.5708e-04 1.4497e-02 -6.0000e+00 1.2534e-02 4.8213e-03 2.8389e-04 8.4233e-03 -6.0000e+00 1.3526e-02 2.6977e-03 1.6237e-04 4.0968e-03 -6.0000e+00 8.0703e-03 -3.1653e-03 7.0494e-05 1.1294e-03 -6.0000e+00 3.4135e-03 4.3357e-02 3.2263e-04 5.6898e-06 1.7016e-05 -6.0000e+00 2.5049e-04 1.1232e-02 0.0000e+00 12 9 1 12 4 4 100.00 18.46 0.21 0.01123 0.01366 1648 312 1 5 0 30.590 26.21 20.00 18.46 32.28 38.4 1093.46 -1474 -2546 -2975 -1249 332 1299 1388 1109 -450 -43 1060 1147 782 390 -413 -355 75 410 553 -91 883 1167 874 487 32 -697 -814 277 1451 1472 1573 1538 -990 -700 161 378 416 370 -743 -1363 -1131 -1254 -1159 -960 -824 -1216 -848 -708 416 756 581 790 666 529 578 790 288 672 860 1411 1230 1085 430 -744 -280 -74 405 1291 918 83 -301 -634 -465 -744 -250 168 475 1313 366 75 -748 -1449 -1230 -941 -977 -669 -476 -385 -610 -216 192 249 1264 1414 1269 802 743 -276 -517 -343 -455 69 870 199 -741 -278 -745 -134 -47 -66 -280 -289 -159 -106 478 735 797 725 35 -510 -462 -269 -316 164 209 448 1334 1036 426 480 -78 179 95 218 -276 -218 138 -406 -402 -230 -238 -276 51 -550 -984 -1108 -446 107 413 479 425 -174 -17 401 452 340 177 -206 -185 40 221 287 -48 470 618 475 277 19 -420 -473 149 769 767 850 878 -565 -390 90 215 247 244 -549 -1077 -908 -1041 -975 -807 -687 -1002 -707 -568 321 583 468 670 563 463 516 715 264 608 769 1263 1093 1030 417 -752 -273 -69 364 1130 863 83 -312 -653 -497 -768 -250 158 424 1109 324 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