File name: Pandora75s1_EssexMD_20250301_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250302T052138.0Z 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: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.74 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250301_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250301 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20250301T135148.7Z 9191.577646 111 1 12.71 2 66.69 122.20 75.43 101.19 0.00 1 0.00 1 0 25 1.525e-01 1.507e-02 8.938e-02 8.121e-03 3.841320e-01 4.292939e-03 5.044070e-03 -6.000000e+00 9.052316e-02 225.68 -2.00 3.48 -2.00 318.95 0.00e+00 2.336095e-03 9.410610e-04 1.778040e-03 -6.000000e+00 3.985111e-03 277.43 -2.00 20.00 -2.00 318.34 0.00e+00 2.508 0.000 302.00 328.00 3 5.5360e+00 1.1665e-02 3.2837e-02 -6.0000e+00 2.2392e-01 2.5852e-02 1.3310e-02 2.3453e-02 -6.0000e+00 2.4359e-01 -1.5432e-02 9.4786e-03 9.7385e-03 -6.0000e+00 1.4494e-01 1.0408e-02 4.9999e-03 4.2163e-03 -6.0000e+00 6.0893e-02 1.0235e-04 -1.8772e-02 2.5598e-04 4.3492e-05 -6.0000e+00 4.7429e-03 4.0405e-02 -3.6799e-03 12 9 9 12 41 1 99.97 23.12 -0.71 0.04041 -0.10066 4 3 1 5 0 2540.570 25.90 20.00 23.12 16.78 5.8 949.36 -93129 -24226 114736 -6986 -34848 5547 31915 36115 -24395 15322 -14408 1092 10774 34246 2545 -19438 -4514 2467 -8805 3671 3836 24945 2732 1713 14478 -911 -16674 -8717 -15254 16580 -15038 192 6512 -2886 11124 1998 3024 4473 7647 4158 1707 3999 -4609 -1400 782 -686 -783 -656 -804 2331 3358 2010 3295 1121 2539 2333 -622 -472 -2033 -1225 4507 6767 2666 1329 -195 -1909 724 1149 4814 2100 -16 1421 -2179 -1345 -2275 -1198 -1347 -2296 -447 -1614 -1628 -2420 -1619 -2089 -1776 -237 -202 -117 -526 976 -651 -1593 -1638 103 -1046 1735 1143 690 949 49 -1390 -1053 -1885 -952 -278 -1227 -582 768 375 1728 233 1082 630 1053 169 872 76 204 652 1094 1090 -28 1162 808 848 375 -206 -1355 107 -728 -1268 -1794 -1161 -1051 -280 -832 149 958 34 1667 -17 -614 900000 -7173 -1029 1363 -266 -1628 171 809 972 -1314 582 -764 54 572 1708 204 -2170 -468 254 -1067 407 431 2291 324 217 1697 -128 -2733 -1270 -2319 1904 -2608 32 1098 -546 1779 356 589 1006 1980 1284 592 1431 -1692 -506 279 -249 -284 -261 -324 945 1313 860 1487 547 1269 1197 -333 -251 -1081 -649 2352 3741 1677 901 -135 -1280 455 726 3167 1583 -12 1109 -1745 -1111 -1751 -827 -865 -1473 -303 -1252 -1427 -2170 -1548 -2127 -1924 -269 -240 -131 -639 1120 -706 -1612 -1566 97 -1069 1924 1321 884 1275 66 -1773 -1238 -2308 -1179 -336 -1583 -786 1081 565 2565 372 1743 994 1681 254 1242 109 305 1027 1665 1676 -46 1835 1227 1228 522 -280 -1901 159 -1175 -2029 -3007 -1998 -1889 -528 -1537 280 1814 64 3250 -32 -1129 900000 SS 20250301T140939.9Z 9191.590045 125 1 16.84 2 63.83 125.92 72.10 104.08 0.00 1 0.00 1 0 17 2.315e-02 7.708e-03 2.478e-03 6.278e-04 3.538573e-01 3.253941e-04 4.136594e-03 -6.000000e+00 1.374047e-02 225.68 -2.00 3.48 -2.00 317.57 0.00e+00 1.200686e-03 5.085670e-05 3.249869e-04 -6.000000e+00 6.012429e-04 277.43 -2.00 20.00 -2.00 316.93 0.00e+00 2.254 0.000 302.00 328.00 3 1.7019e+00 8.5885e-04 2.8641e-02 -6.0000e+00 3.3988e-02 5.5224e-03 9.6937e-04 1.7616e-02 -6.0000e+00 3.6976e-02 -1.8327e-03 5.9594e-04 8.7699e-03 -6.0000e+00 2.2014e-02 -3.7840e-03 2.9548e-04 2.6368e-03 -6.0000e+00 9.1426e-03 6.4710e-03 2.1513e-04 1.9600e-05 3.1956e-05 -6.0000e+00 7.1608e-04 7.3232e-03 3.9366e-05 12 9 1 12 1 1 99.98 23.16 0.44 0.00732 0.00894 185 94 1 5 0 89.560 26.00 20.00 23.16 17.79 5.9 956.44 -5593 -5691 -3969 -6222 -8596 -8455 -7880 -5393 -7085 -5441 -8874 -5777 -5521 -2715 -932 -101 304 208 1853 1303 2726 565 1358 346 935 423 -823 -1436 -2127 -262 -458 1089 -117 -1440 -3794 -3742 -3225 -1811 2 -293 -512 -22 335 312 708 834 495 191 -9 572 532 1360 1361 1523 833 1273 909 246 138 447 1142 1796 2421 1804 967 124 -348 -155 573 1256 638 810 555 246 -398 -889 -1746 -1909 -1913 -1658 -1798 -1947 -2010 -1867 -766 -373 280 650 531 418 353 -144 -506 -343 -295 98 455 535 167 -312 -1059 -1353 -885 -657 -915 -1021 -433 -209 540 806 898 570 422 23 -163 -65 23 344 385 279 377 576 581 691 640 148 216 316 411 126 -163 -421 -168 -7 8 61 395 333 106 -7 -495 -796 -897 -417 -477 -343 -533 -698 -659 -637 -470 -696 -561 -978 -654 -708 -398 -142 -17 56 41 376 276 584 125 305 83 235 111 -221 -374 -535 -65 -122 316 -34 -446 -1174 -1152 -1067 -685 1 -140 -252 -11 180 171 389 459 272 104 -5 320 315 805 861 1019 548 857 625 170 94 303 793 1333 1830 1464 800 98 -265 -118 460 1053 586 735 504 227 -343 -738 -1347 -1527 -1526 -1401 -1716 -1953 -2065 -2030 -837 -433 324 769 627 497 392 -156 -515 -363 -316 110 547 678 223 -414 -1336 -1658 -1079 -779 -1160 -1310 -582 -283 773 1182 1336 864 648 34 -231 -92 32 481 570 416 568 852 836 991 874 202 287 429 572 189 -249 -644 -266 -12 13 102 682 585 186 -11 -845 -1315 -1466 SS 20250301T141347.1Z 9191.592906 128 1 51.59 2 63.18 126.80 71.34 104.76 0.00 1 0.00 1 0 17 2.075e-02 7.675e-03 5.771e-04 1.693e-04 3.467165e-01 8.782892e-05 4.059911e-03 -6.000000e+00 1.231063e-02 225.68 -2.00 3.48 -2.00 317.37 0.00e+00 1.179500e-03 1.298775e-05 2.908778e-04 -6.000000e+00 5.387182e-04 277.43 -2.00 20.00 -2.00 316.73 0.00e+00 2.204 0.000 302.00 328.00 3 3.2282e-01 2.3084e-04 2.8023e-02 -6.0000e+00 3.0451e-02 -5.8690e-03 2.6007e-04 1.7242e-02 -6.0000e+00 3.3130e-02 -1.4467e-03 1.5693e-04 8.5653e-03 -6.0000e+00 1.9724e-02 -3.4782e-03 7.6558e-05 2.5500e-03 -6.0000e+00 8.1906e-03 2.7403e-02 1.0702e-04 5.2709e-06 3.1238e-05 -6.0000e+00 6.4163e-04 7.6337e-03 2.5659e-05 11 8 0 10 0 0 99.71 23.16 0.45 0.00763 0.00844 1813 295 1 5 0 28.450 26.00 20.00 23.16 18.30 6.0 961.98 -4462 -3412 -3658 -5892 -7598 -7880 -7143 -5895 -5250 -6236 -6865 -6139 -4026 -2087 -454 -97 436 1027 1603 1558 1490 1339 1464 1179 965 609 -493 -1367 -1211 -644 22 845 324 -1586 -3267 -3410 -2909 -1557 -202 -271 -300 45 205 418 643 771 521 105 61 449 849 1231 1390 1400 1090 1054 787 236 123 459 1166 1834 2226 1751 888 30 -402 -139 599 1112 704 649 486 210 -257 -1049 -1724 -1983 -1947 -1717 -1750 -1891 -1997 -1770 -907 -473 214 608 513 483 364 -35 -478 -309 -235 38 456 525 103 -345 -1005 -1403 -908 -561 -903 -980 -543 -234 544 866 832 604 382 52 -137 -39 150 381 391 338 388 601 646 687 610 194 184 359 320 132 -137 -404 -222 -7 24 86 340 260 68 -24 -456 -820 -855 -398 -338 -380 -607 -736 -735 -690 -621 -609 -779 -890 -836 -553 -330 -82 -20 95 236 354 358 351 318 357 304 263 173 -143 -385 -326 -173 6 265 103 -532 -1087 -1130 -1037 -634 -90 -131 -161 24 113 234 361 434 292 58 34 256 511 747 900 960 737 733 558 168 87 321 835 1403 1749 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