File name: Pandora177s1_WestportCT_20230803_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20230805T024615.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20230803_L1_smca1c3d20221101p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20230803 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20230803T113718.7Z 8615.484244 231 1 28.32 2 71.62 82.51 88.21 249.60 0.00 1 0.00 1 0 17 1.217e-01 1.235e-02 1.300e-01 7.115e-03 4.273729e-01 3.810489e-03 5.117902e-03 -6.000000e+00 7.357752e-02 232.27 -2.00 3.51 -2.00 319.93 0.00e+00 3.854730e-03 1.208701e-03 2.023469e-03 -6.000000e+00 3.311636e-03 289.87 -2.00 20.00 -2.00 319.09 0.00e+00 3.130 0.001 302.00 328.00 3 4.3827e+00 1.1310e-02 3.9176e-02 -6.0000e+00 1.8414e-01 6.0731e-02 1.3585e-02 2.3917e-02 -6.0000e+00 1.9920e-01 -2.8099e-03 1.0453e-02 1.2770e-02 -6.0000e+00 1.1881e-01 -1.6661e-02 5.3058e-03 4.3469e-03 -6.0000e+00 4.9201e-02 1.6685e-04 4.0636e-04 2.3067e-04 6.2110e-05 -6.0000e+00 3.7003e-03 5.7454e-02 -1.2670e-04 12 9 9 12 1 1 99.17 23.28 0.41 0.05745 0.06051 7 3 1 5 0 3518.160 26.62 20.00 23.28 22.63 21.5 1002.27 -6850 30531 -17473 -70676 -26101 28742 -28434 -24968 -3395 3460 -47348 -56491 -58655 -4189 -4424 -7742 16601 3791 17766 -1120 -3343 5064 -11711 2940 2263 -8222 -8136 4132 12631 2103 5692 -8275 -3887 41 -13587 965 1218 7103 3263 -1826 -5249 -3351 3520 -1729 4118 10374 1378 1219 612 -125 -1834 1017 2362 -411 2186 3142 2623 -4093 -3194 -3292 499 3778 3779 3365 2165 465 48 -1278 3797 2247 726 506 -661 -22 -2691 -121 -995 -695 -3403 -1048 -3124 -4492 -3612 -774 1113 1377 3636 1460 1508 701 889 -221 -1574 616 -440 370 856 1144 -240 -1272 -2897 -2306 -145 -409 -974 -697 -1349 -1234 1158 592 104 191 -349 370 663 485 19 882 -372 696 46 906 1164 807 430 147 -602 484 -469 -1856 404 -787 -779 335 274 557 78 865 21 573 -378 -1549 95 -101 344 -326 -2146 -475 299 -567 -541 -65 65 -1540 -2254 -2874 -145 -182 -373 684 191 824 -66 -204 288 -813 187 154 -638 -666 292 818 160 469 -892 -437 5 -1678 105 148 969 551 -371 -1209 -803 816 -431 983 2352 344 307 158 -34 -552 324 797 -150 809 1185 1006 -1666 -1273 -1326 204 1636 1795 1706 1115 233 23 -646 2013 1349 476 341 -443 -14 -1605 -64 -498 -351 -1938 -667 -2298 -3693 -2963 -655 984 1293 3498 1460 1484 666 837 -194 -1341 527 -416 390 946 1382 -308 -1615 -3467 -2529 -161 -471 -1127 -852 -1743 -1688 1666 925 172 321 -571 566 950 674 27 1298 -586 1126 75 1428 1768 1185 607 198 -859 667 -710 -3099 697 -1428 -1473 662 571 1208 165 1822 44 1239 -788 -3141 189 SS 20230803T115438.8Z 8615.496282 240 1 46.70 2 68.38 85.24 91.13 252.43 0.00 1 0.00 1 0 25 4.059e-02 9.904e-03 7.240e-03 7.772e-04 3.685746e-01 4.088498e-04 4.453164e-03 -6.000000e+00 2.455789e-02 232.27 -2.00 3.51 -2.00 319.23 0.00e+00 2.431057e-03 1.049370e-04 1.698247e-03 -6.000000e+00 1.104378e-03 289.87 -2.00 20.00 -2.00 318.35 0.00e+00 2.689 0.000 302.00 328.00 3 1.6756e+00 1.1552e-03 3.3622e-02 -6.0000e+00 6.1463e-02 1.8701e-03 1.3457e-03 2.0524e-02 -6.0000e+00 6.6475e-02 1.1901e-03 9.3979e-04 1.0191e-02 -6.0000e+00 3.9649e-02 -8.5002e-03 4.8277e-04 2.9107e-03 -6.0000e+00 1.6431e-02 4.2747e-03 9.4298e-04 2.5063e-05 3.6563e-05 -6.0000e+00 1.2341e-03 5.6346e-02 7.6135e-06 12 8 8 10 0 0 99.74 23.34 0.34 0.05635 0.06343 295 68 1 5 0 158.280 26.73 20.00 23.34 23.86 21.5 1010.52 -6484 -8710 -8417 -11291 -11972 -14760 -14962 -14235 -13815 -14016 -13631 -11471 -7558 -2635 -2762 -2185 -2187 552 304 1511 -458 -146 179 1606 -507 -1698 -4258 -4955 -3953 -2639 185 407 -75 -4519 -7182 -5727 -4181 -1828 -418 -405 -1128 38 276 51 816 544 387 -366 -610 487 1795 1446 1559 1463 663 1345 150 -264 -560 451 1758 3127 3253 2363 261 -1022 -660 49 2570 1676 1339 1333 1031 849 -491 -1818 -2509 -2932 -1871 -2237 -2231 -2430 -2640 -1347 -122 531 1406 1182 1485 1201 573 -523 -1383 -391 -567 -161 376 860 11 -803 -1615 -1820 -401 -323 -1736 -2040 -1043 -715 966 1308 1098 509 282 -201 -276 -25 375 452 934 247 525 809 1351 663 707 -703 -425 676 -45 -588 -1147 -1259 -427 126 155 108 656 778 453 10 -309 -960 -239 -193 -290 -284 -372 -370 -462 -507 -539 -570 -603 -605 -546 -406 -161 -196 -172 -185 48 28 144 -45 -15 18 172 -59 -205 -519 -589 -456 -310 23 57 -11 -732 -1165 -929 -744 -379 -101 -112 -344 12 91 17 273 183 130 -124 -209 172 670 587 675 667 316 654 75 -131 -276 222 897 1713 1938 1363 153 -634 -390 30 1648 1098 947 970 742 582 -347 -1180 -1529 -1795 -1233 -1527 -1717 -2058 -2401 -1285 -123 565 1555 1335 1650 1281 572 -486 -1230 -350 -551 -174 452 1125 13 -1093 -2060 -2154 -456 -382 -2216 -2767 -1470 -972 1383 2002 1766 830 446 -299 -385 -36 554 642 1403 389 830 1249 2004 953 1060 -1021 -602 979 -64 -923 -1906 -2163 -756 233 303 203 1263 1512 878 20 -610 -1838 -455 SS 20230803T120410.9Z 8615.502903 243 1 45.72 2 66.59 86.75 92.76 253.96 0.00 1 0.00 1 0 17 3.172e-02 1.004e-02 4.024e-03 5.503e-04 3.451882e-01 2.911570e-04 4.161670e-03 -6.000000e+00 1.917143e-02 232.27 -2.00 3.51 -2.00 318.92 0.00e+00 2.154524e-03 6.709482e-05 1.353873e-03 -6.000000e+00 8.633115e-04 289.87 -2.00 20.00 -2.00 318.04 0.00e+00 2.497 0.000 302.00 328.00 3 1.2908e+00 8.1138e-04 3.1232e-02 -6.0000e+00 4.7979e-02 4.6973e-03 9.3431e-04 1.8879e-02 -6.0000e+00 5.1909e-02 1.6008e-04 6.2174e-04 9.1953e-03 -6.0000e+00 3.0959e-02 -8.7365e-03 3.1748e-04 2.5368e-03 -6.0000e+00 1.2816e-02 7.8027e-03 -6.8566e-05 1.7740e-05 3.1949e-05 -6.0000e+00 9.6455e-04 5.8561e-02 -1.7918e-04 12 9 8 11 8 0 53.03 23.37 0.30 0.05856 0.05805 436 100 1 5 0 104.840 26.73 20.00 23.37 24.67 21.7 1016.92 -3868 -4995 -8991 -10717 -10918 -10684 -7064 -8308 -5657 -12534 -11884 -10658 -5950 -3520 -606 -679 -422 697 336 1308 -922 -134 -538 712 -451 -1663 -2529 -3759 -2038 -2013 610 -74 -414 -4652 -6663 -4539 -3807 -457 -470 -775 -1125 -53 234 181 1169 542 664 -148 -175 368 1556 1485 1640 1308 692 1640 340 -411 -330 425 1774 2906 3175 2380 276 -892 -575 165 2605 1613 1116 1260 741 771 -659 -1671 -2611 -2854 -1851 -2109 -2422 -2533 -2687 -1289 -87 455 1451 1254 1465 1143 359 -763 -1286 -252 -356 -109 516 1006 -69 -997 -1729 -1931 -470 -283 -1716 -2019 -948 -713 879 1261 1031 617 278 -58 -297 101 349 518 871 215 463 756 1289 725 763 -715 -488 630 -164 -630 -1157 -1221 -367 145 198 147 645 759 431 -78 -303 -1105 -284 -152 -216 -408 -468 -444 -427 -294 -394 -284 -701 -681 -656 -406 -278 -54 -67 -44 76 39 155 -114 -17 -69 95 -65 -247 -372 -540 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