File name: Pandora64s1_NewHavenCT_20250411_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250412T053353.5Z 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 v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250411_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: 20250411 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 20250411T144710.2Z 9232.616091 363 1 12.09 2 42.89 130.89 139.83 333.61 0.00 1 0.00 1 0 17 1.402e-02 8.318e-03 3.917e-03 2.076e-03 2.302194e-01 1.116820e-03 2.794902e-03 -6.000000e+00 8.490516e-03 228.24 -2.00 3.52 -2.00 315.91 0.00e+00 3.959283e-04 1.153782e-04 4.929152e-05 -6.000000e+00 3.692005e-04 279.68 -2.00 20.00 -2.00 315.31 0.00e+00 1.363 0.000 302.00 328.00 3 4.6393e+00 2.8885e-03 1.8200e-02 -6.0000e+00 2.1133e-02 2.4470e-02 3.2100e-03 1.1825e-02 -6.0000e+00 2.2853e-02 -1.3198e-03 1.8466e-03 5.8181e-03 -6.0000e+00 1.3582e-02 -1.6313e-03 8.4163e-04 1.6466e-03 -6.0000e+00 5.7520e-03 9.7655e-04 2.4277e-04 6.3989e-05 2.1631e-05 -6.0000e+00 4.1694e-04 -1.5519e-03 7.3273e-05 12 9 1 12 1 1 99.91 21.47 0.13 -0.00155 0.00027 11 12 1 5 0 1007.030 25.90 20.01 21.47 13.97 39.2 985.77 580 -1558 -154 -4057 -9911 -1444 8 496 1463 -251 -2881 -2156 -16 157 1533 198 -1343 1370 854 2569 1113 166 2154 1437 347 868 72 -1071 -312 -663 1265 243 3076 -42 -3676 -2579 -1774 -917 473 -222 -1397 -900 -228 -1043 -165 -21 -523 213 -1268 -327 1343 887 1025 1783 144 994 1157 721 -42 411 139 1265 948 1871 628 -1305 -443 -1757 1057 1528 200 480 -442 842 338 -1401 -810 -2102 -752 -184 -1552 -707 -1945 -1639 -401 -546 -17 320 1072 352 305 515 -377 -274 992 360 -22 1061 482 -505 -410 -1443 -1818 159 462 -1484 -225 -617 -38 614 704 145 341 61 -200 -78 191 -141 643 318 -152 -32 887 106 750 784 -753 739 936 367 486 -601 -730 -367 506 -91 -210 188 87 -448 -24 -897 123 -350 -34 -841 -1998 -290 2 108 342 -61 -708 -564 -5 51 509 71 -501 519 334 1021 450 67 891 627 148 377 31 -457 -126 -272 541 110 1366 -19 -1714 -1169 -893 -503 302 -151 -1023 -643 -166 -760 -119 -15 -385 152 -904 -236 1012 671 811 1463 122 809 948 587 -36 335 119 1150 876 1773 575 -1176 -379 -1522 979 1487 199 487 -443 835 324 -1234 -694 -1790 -650 -176 -1582 -743 -2172 -1843 -480 -663 -21 407 1335 416 346 560 -386 -283 1087 416 -26 1331 619 -654 -498 -1727 -2149 189 585 -1909 -300 -828 -53 870 1027 208 481 83 -265 -99 248 -185 897 445 -215 -45 1233 140 987 983 -924 928 1247 496 683 -833 -1041 -547 761 -142 -324 294 135 -702 -36 -1331 SS 20250411T145140.4Z 9232.619217 366 1 21.54 2 42.26 132.25 140.20 335.20 0.00 1 0.00 1 0 17 1.114e-02 8.061e-03 4.907e-04 2.845e-04 2.270518e-01 1.537506e-04 2.766443e-03 -6.000000e+00 6.746389e-03 228.24 -2.00 3.52 -2.00 315.64 0.00e+00 3.687742e-04 1.488454e-05 4.614991e-05 -6.000000e+00 2.933824e-04 279.68 -2.00 20.00 -2.00 315.05 0.00e+00 1.350 0.000 302.00 328.00 3 1.4483e+00 3.9629e-04 1.7986e-02 -6.0000e+00 1.6792e-02 4.0696e-03 4.3950e-04 1.1659e-02 -6.0000e+00 1.8159e-02 -1.5313e-03 2.5218e-04 5.7382e-03 -6.0000e+00 1.0793e-02 -2.6847e-03 1.1336e-04 1.6192e-03 -6.0000e+00 4.5699e-03 2.4450e-02 7.1775e-05 8.7640e-06 2.2041e-05 -6.0000e+00 3.3136e-04 -1.6973e-03 1.9329e-05 12 9 1 12 1 1 99.87 21.47 0.21 -0.00170 -0.00116 444 240 1 5 0 48.390 25.90 20.01 21.47 14.52 39.3 989.39 794 -1189 327 -3541 -4354 -1861 -417 426 1111 -307 -3201 -1846 -10 -200 1195 500 -575 995 586 1672 1132 -294 1012 923 648 1196 557 -1078 -562 263 1858 110 2286 -368 -4392 -2248 -1646 -990 272 63 -1040 -1059 -360 -895 -313 -7 -656 -54 -618 -235 1225 842 750 1424 215 903 1052 585 163 459 592 1359 1219 2150 468 -1357 -429 -1531 672 1553 231 373 -184 614 96 -704 -875 -1892 -519 -315 -1216 -729 -2086 -1975 -567 -514 13 123 820 390 345 352 -724 53 911 350 -43 1196 594 -487 -438 -1433 -1610 312 363 -1323 -245 -771 -262 305 809 307 237 76 -186 -69 589 -163 676 464 -2 -206 696 1 1012 912 -764 635 991 400 500 -529 -624 -351 477 -143 -509 301 74 -480 -13 -845 202 -296 80 -879 -1001 -420 -100 112 290 -83 -879 -536 -3 -72 440 198 -235 418 254 741 505 -124 437 418 305 571 260 -475 -252 118 814 52 1126 -182 -2128 -1118 -854 -597 180 44 -743 -783 -271 -673 -234 -5 -499 -40 -452 -175 905 658 615 1151 178 761 893 492 136 387 523 1218 1163 2104 444 -1205 -381 -1370 616 1494 239 393 -190 603 91 -639 -740 -1585 -464 -299 -1224 -761 -2316 -2219 -650 -623 16 150 1024 461 392 382 -775 56 995 404 -53 1501 763 -607 -533 -1714 -1901 371 462 -1709 -317 -1046 -358 438 1149 445 326 100 -237 -89 738 -215 916 658 -2 -289 945 1 1290 1155 -949 807 1283 548 685 -744 -870 -511 706 -220 -776 463 114 -741 -19 -1237 SS 20250411T145645.6Z 9232.622750 369 1 48.26 2 41.56 133.81 140.59 337.01 0.00 1 0.00 1 0 17 1.117e-02 8.059e-03 3.264e-04 1.786e-04 2.244660e-01 9.606387e-05 2.728988e-03 -6.000000e+00 6.763489e-03 228.24 -2.00 3.52 -2.00 315.84 0.00e+00 3.563197e-04 9.724686e-06 5.423449e-05 -6.000000e+00 2.941191e-04 279.68 -2.00 20.00 -2.00 315.24 0.00e+00 1.335 0.000 302.00 328.00 3 1.2850e+00 2.4797e-04 1.7784e-02 -6.0000e+00 1.6835e-02 6.1573e-03 2.7527e-04 1.1519e-02 -6.0000e+00 1.8205e-02 -6.2173e-04 1.5830e-04 5.6717e-03 -6.0000e+00 1.0820e-02 -3.6684e-03 7.1777e-05 1.6024e-03 -6.0000e+00 4.5817e-03 2.9318e-02 1.3848e-04 5.5255e-06 2.1303e-05 -6.0000e+00 3.3219e-04 -1.8456e-03 2.8603e-05 11 9 0 11 8 0 99.94 21.48 0.22 -0.00185 -0.00080 1851 446 1 5 0 26.010 25.90 19.98 21.48 15.38 39.4 993.52 831 -1000 147 -3391 -4289 -1833 -481 835 1209 -127 -3384 -1680 24 -130 1049 516 -740 941 428 1727 1070 -309 923 930 458 1202 393 -998 -758 202 1600 102 2258 -391 -4514 -2290 -1767 -1026 202 128 -1041 -1032 -316 -914 -348 19 -704 -62 -718 -213 1167 901 812 1394 203 901 1117 638 183 453 648 1380 1264 2172 453 -1364 -427 -1596 751 1567 286 406 -143 618 135 -755 -843 -1965 -548 -345 -1178 -765 -2117 -2006 -499 -448 122 145 892 397 362 291 -790 -2 896 293 -36 1186 599 -458 -442 -1551 -1633 272 375 -1326 -235 -770 -204 356 848 356 201 39 -233 -121 531 -205 639 471 -9 -183 648 36 994 833 -791 603 932 386 509 -518 -660 -335 466 -145 -453 375 124 -460 -4 -821 188 -240 35 -747 -876 -368 -102 195 304 -33 -895 -468 7 -42 369 194 -288 377 177 728 454 -123 378 399 204 543 173 -415 -323 86 714 45 1048 -182 -2062 -1073 -922 -580 125 89 -729 -748 -233 -675 -255 13 -498 -45 -518 -156 844 688 651 1161 163 737 920 522 149 371 556 1260 1164 2050 415 -1234 -366 -1384 699 1521 283 410 -142 613 123 -663 -730 -1687 -474 -332 -1194 -799 -2351 -2240 -591 -536 152 182 1098 485 407 316 -808 -2 977 335 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