File name: Pandora64s1_NewHavenCT_20231006_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231007T153139.5Z 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_20231006_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: 20231006 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 20231006T180640.1Z 8679.754630 505 1 9.14 2 50.59 208.50 84.24 301.41 0.00 1 0.00 1 0 17 1.426e-02 9.902e-03 8.901e-03 5.116e-03 1.954295e-01 2.746709e-03 2.401112e-03 -6.000000e+00 8.595805e-03 226.88 -2.00 3.52 -2.00 315.67 0.00e+00 5.104778e-04 2.742660e-04 1.073307e-04 -6.000000e+00 3.840884e-04 285.10 -2.00 20.00 -2.00 315.00 0.00e+00 1.572 0.000 302.00 328.00 3 5.6169e+00 7.0581e-03 1.8625e-02 -6.0000e+00 2.1288e-02 4.6611e-02 7.8512e-03 1.0039e-02 -6.0000e+00 2.3017e-02 -1.3107e-03 4.5067e-03 4.9312e-03 -6.0000e+00 1.3741e-02 -4.0695e-03 2.0335e-03 1.3954e-03 -6.0000e+00 5.8681e-03 3.2264e-04 -4.1539e-04 1.5793e-04 1.9020e-05 -6.0000e+00 4.2401e-04 -5.0660e-03 -3.1834e-06 12 9 9 12 1 1 999.00 21.46 0.11 -0.00507 -0.00819 2 4 1 5 0 3044.740 26.00 20.01 21.46 29.66 38.7 1042.80 -15 -899 411 -3190 -3891 -4688 1106 -416 3754 1626 -5091 -1965 -1877 -1159 549 -209 2297 513 -232 2056 2652 -1292 2373 2028 1192 637 146 -1971 -362 -2397 2249 -810 1043 549 -3472 -2583 905 -689 1627 -503 -185 -2042 1631 -3035 -246 306 223 -78 -680 -1878 -564 937 687 677 279 392 2054 329 409 163 585 1167 1613 3224 1386 -1161 -300 -1661 248 1186 537 836 -1162 951 -453 -1348 -755 -2265 -1547 982 -941 -443 -1537 -1315 -974 -340 535 -185 968 831 0 576 -1364 -766 295 590 -425 1078 121 -906 -367 -1932 -1584 690 -143 -1091 -661 223 -616 913 1569 544 183 850 -667 -578 162 -539 550 -72 516 80 770 743 923 813 -1367 -337 900 -6 564 -880 48 -949 962 75 396 454 319 -905 -400 -1064 -4 -238 107 -774 -866 -1051 250 -106 987 446 -1457 -577 -581 -397 205 -84 910 215 -95 850 1149 -549 1005 900 550 302 67 -861 -155 -1050 990 -364 492 255 -1654 -1208 455 -391 1062 -360 -133 -1551 1222 -2372 -186 228 168 -58 -492 -1393 -418 719 552 567 237 325 1766 284 349 141 506 1074 1503 3054 1328 -1043 -266 -1477 226 1144 552 879 -1222 938 -434 -1226 -631 -1870 -1363 899 -925 -472 -1668 -1503 -1151 -407 664 -234 1200 1010 -1 615 -1429 -798 325 681 -520 1361 157 -1142 -449 -2246 -1875 821 -178 -1418 -870 302 -853 1307 2294 787 260 1148 -847 -732 208 -703 735 -102 730 112 1041 985 1168 1020 -1682 -424 1183 -8 780 -1209 66 -1350 1424 112 602 705 494 -1374 -609 -1586 SS 20231006T181433.2Z 8679.760107 511 1 2.49 2 51.33 210.85 85.46 302.58 0.00 1 0.00 1 0 17 1.062e-02 7.831e-03 1.714e-03 1.098e-03 1.932868e-01 5.914512e-04 2.385263e-03 -6.000000e+00 6.401260e-03 226.88 -2.00 3.52 -2.00 315.25 0.00e+00 3.246469e-04 5.382008e-05 3.378298e-05 -6.000000e+00 2.860271e-04 285.10 -2.00 20.00 -2.00 314.60 0.00e+00 1.597 0.000 302.00 328.00 3 1.8002e+00 1.5138e-03 1.8787e-02 -6.0000e+00 1.5853e-02 7.3173e-03 1.6777e-03 9.9682e-03 -6.0000e+00 1.7141e-02 2.0722e-03 9.6262e-04 4.8975e-03 -6.0000e+00 1.0232e-02 -3.5311e-03 4.2894e-04 1.3866e-03 -6.0000e+00 4.3699e-03 1.4605e-02 -2.8182e-04 3.3863e-05 1.9774e-05 -6.0000e+00 3.1575e-04 -4.9708e-03 4.1886e-06 12 9 1 12 1 1 70.31 21.45 0.20 -0.00497 -0.00709 28 136 1 5 0 85.830 26.00 20.01 21.45 30.23 38.7 1045.05 552 -604 -324 -1970 -5182 -883 -215 1340 1522 689 -3001 -1366 79 7 727 746 -710 1015 621 1499 776 -173 871 1094 444 760 312 -968 -412 221 1909 -89 2281 -408 -3997 -2312 -1328 -1255 198 82 -978 -1112 -268 -1001 -231 -184 -658 -268 -481 -467 1242 746 862 1238 571 772 1106 473 90 364 716 1179 1123 2252 665 -1354 -377 -1538 572 1582 96 420 -174 424 135 -614 -642 -1903 -418 -219 -997 -656 -1991 -1860 -641 -403 -43 157 796 227 168 427 -652 190 813 474 -273 1175 575 -332 -325 -1248 -1748 309 321 -1240 -296 -597 -461 328 743 358 177 190 -129 62 476 -236 442 263 -51 -223 511 123 877 1073 -594 637 989 410 440 -420 -657 -380 469 -138 -592 272 67 -508 123 -772 162 -186 -99 -551 -1367 -242 -58 393 482 225 -992 -470 28 3 313 317 -312 456 286 708 370 -83 427 559 236 411 164 -479 -192 103 916 -45 1217 -219 -2084 -1237 -737 -763 132 62 -744 -876 -214 -803 -184 -144 -502 -209 -368 -362 950 604 728 1032 486 668 963 410 78 317 648 1085 1096 2144 642 -1221 -337 -1379 524 1519 99 443 -182 422 130 -563 -545 -1675 -371 -205 -987 -705 -2176 -2054 -754 -481 -54 197 986 267 190 460 -687 199 865 530 -323 1485 717 -417 -385 -1454 -2017 372 399 -1565 -390 -788 -638 456 1059 503 245 251 -165 76 594 -299 598 361 -71 -304 701 161 1133 1319 -743 780 1279 538 599 -563 -905 -546 684 -203 -891 415 102 -753 184 -1128 SS 20231006T181908.2Z 8679.763289 514 1 9.34 2 51.78 212.19 86.16 303.27 0.00 1 0.00 1 0 17 1.061e-02 7.764e-03 8.642e-04 5.477e-04 1.944960e-01 2.956348e-04 2.395439e-03 -6.000000e+00 6.397691e-03 226.88 -2.00 3.52 -2.00 315.31 0.00e+00 2.457327e-04 2.731171e-05 2.884561e-05 -6.000000e+00 2.858446e-04 285.10 -2.00 20.00 -2.00 314.66 0.00e+00 1.613 0.000 302.00 328.00 3 1.7408e+00 7.5719e-04 1.8953e-02 -6.0000e+00 1.5844e-02 6.3181e-03 8.3969e-04 1.0029e-02 -6.0000e+00 1.7130e-02 3.4230e-03 4.8130e-04 4.9263e-03 -6.0000e+00 1.0226e-02 -4.2435e-03 2.1439e-04 1.3918e-03 -6.0000e+00 4.3680e-03 1.5234e-02 -3.2807e-05 1.6871e-05 1.9687e-05 -6.0000e+00 3.1550e-04 -5.4207e-03 3.5127e-05 12 9 1 12 1 1 99.59 21.45 0.19 -0.00542 -0.00567 117 147 1 5 0 79.150 26.00 20.01 21.45 30.58 38.6 1047.47 945 -980 3 -3021 -4295 -1449 -249 881 1259 572 -3118 -1780 -67 -5 938 507 -678 1058 476 1831 1135 -158 967 825 375 1129 800 -699 -492 548 1913 222 2410 -105 -4224 -1987 -1493 -1032 267 67 -1071 -1176 -394 -924 -492 -30 -789 -124 -605 -255 1103 716 813 1230 128 761 1006 570 206 554 595 1195 997 1846 573 -1279 -143 -1456 603 1505 161 362 -167 415 228 -559 -532 -1655 -397 -99 -1174 -766 -2011 -2029 -544 -542 -102 10 742 348 393 607 -506 367 969 369 -104 1063 525 -394 -379 -1270 -1511 272 458 -1273 -264 -803 -338 145 588 244 125 131 -114 17 640 -157 578 424 -120 -358 598 -34 960 1080 -631 704 999 481 584 -373 -551 -294 398 -137 -561 233 -55 -516 34 -662 266 -292 1 -823 -1173 -385 -70 251 387 181 -998 -595 -25 -2 390 224 -309 493 213 835 523 -73 460 411 194 591 408 -335 -239 264 893 110 1249 -54 -2148 -1031 -861 -648 184 49 -839 -904 -308 -722 -382 -23 -620 -95 -452 -193 871 565 671 1055 107 644 857 483 173 470 527 1129 952 1806 542 -1182 -124 -1277 567 1483 162 374 -170 423 214 -501 -464 -1422 -363 -96 -1195 -807 -2152 -2295 -627 -661 -125 12 901 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