File name: Pandora75s1_EssexMD_20250710_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250711T051704.3Z 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: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250710_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: 20250710 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 20250710T112642.1Z 9322.476876 230 1 52.05 2 73.33 74.71 113.72 252.64 0.00 1 0.00 1 0 17 1.772e-01 1.120e-02 5.918e-02 2.905e-03 4.327544e-01 1.548942e-03 5.092062e-03 -6.000000e+00 1.078878e-01 232.79 -2.00 3.48 -2.00 319.54 0.00e+00 2.250607e-03 4.462426e-04 1.715452e-03 -6.000000e+00 4.847057e-03 289.96 -2.00 20.00 -2.00 318.72 0.00e+00 3.430 0.001 302.00 328.00 3 4.1669e+00 4.4761e-03 4.1635e-02 -6.0000e+00 2.7031e-01 2.6918e-02 5.2804e-03 2.4121e-02 -6.0000e+00 2.9197e-01 -1.4912e-02 3.9019e-03 1.1708e-02 -6.0000e+00 1.7414e-01 5.8508e-04 2.0064e-03 3.1607e-03 -6.0000e+00 7.2135e-02 1.5850e-04 -3.1254e-04 9.2317e-05 4.5846e-05 -6.0000e+00 5.4951e-03 9.5341e-03 -1.0186e-04 12 8 8 10 0 0 99.96 23.50 0.85 0.00953 0.00719 46 7 1 5 0 1131.340 26.21 20.01 23.50 33.40 6.6 1056.08 -124919 -34125 126192 4373 -49539 -22472 13765 -14333 -52483 1096 -27006 -13426 -26268 4185 -8051 -17819 -7165 -14765 -3881 -9557 24294 13821 8272 615 842 2314 -6215 -5322 -6209 14562 -1524 738 5194 -3910 -3444 -603 -1472 -4754 6875 1187 -2599 1142 3895 3518 -2105 3180 2278 -616 258 4226 -757 122 896 4300 1171 3315 1003 -163 -1076 -1441 1266 3073 898 2253 1468 354 421 300 977 2209 683 2898 -538 -1785 -424 -973 -1463 -184 -2172 -2693 -1406 -2602 -2017 -1899 -764 -472 666 907 739 208 779 -160 -572 -1436 -880 1010 1245 720 799 -759 -1459 -1894 -1410 -1131 -1315 -1306 -806 -97 801 1050 1314 446 -31 -5 -315 661 -126 -24 64 547 687 686 1056 552 650 -811 669 -654 742 -75 -687 -488 -316 -457 -114 -354 478 840 -86 699 -363 -277 -1075 -6209 -782 679 78 -1417 -477 214 -329 -1962 26 -880 -415 -1079 153 -397 -1116 -444 -1067 -268 -734 1369 877 574 49 71 201 -595 -491 -565 1110 -151 80 600 -519 -448 -76 -206 -801 1237 265 -672 304 1054 979 -627 909 660 -185 78 1279 -259 45 322 1596 470 1345 425 -70 -460 -618 549 1418 466 1243 832 196 225 162 566 1416 486 2106 -403 -1296 -281 -589 -827 -102 -1317 -1869 -1097 -2101 -1752 -1753 -746 -490 718 1003 817 222 772 -149 -506 -1289 -848 1073 1490 887 1040 -994 -1815 -2187 -1670 -1364 -1562 -1642 -1064 -135 1185 1557 2070 726 -49 -8 -484 966 -187 -37 98 864 1091 1069 1590 863 970 -1177 934 -956 1158 -119 -1170 -867 -583 -829 -218 -709 978 1737 -179 1395 -702 -515 -1992 SS 20250710T185933.0Z 9322.791354 338 1 51.73 2 28.72 241.21 154.42 69.15 0.00 1 0.00 1 0 17 1.327e-02 9.426e-03 2.749e-03 1.800e-03 1.605936e-01 9.694094e-04 1.879933e-03 -6.000000e+00 8.084054e-03 232.78 -2.00 3.48 -2.00 315.11 0.00e+00 5.925737e-04 8.796441e-05 1.205642e-04 -6.000000e+00 3.629283e-04 289.99 -2.00 20.00 -2.00 314.39 0.00e+00 1.140 0.000 302.00 328.00 3 6.1335e+00 2.5120e-03 1.4105e-02 -6.0000e+00 2.0255e-02 2.0819e-02 2.7859e-03 8.1590e-03 -6.0000e+00 2.1870e-02 3.4981e-03 1.5851e-03 3.9162e-03 -6.0000e+00 1.3045e-02 -7.2176e-03 6.8083e-04 1.0592e-03 -6.0000e+00 5.4092e-03 3.1521e-04 2.3129e-04 5.6833e-05 1.5972e-05 -6.0000e+00 4.1128e-04 8.0488e-03 9.1434e-05 12 9 8 11 8 0 99.97 23.49 0.91 0.00805 0.00979 14 2 1 5 0 3694.830 26.21 20.00 23.49 40.82 6.5 1100.00 -5181 212 4387 -1015 -3358 -3191 2496 589 -1211 -677 -2849 -2171 -586 1163 302 -697 -762 -108 1156 1427 1418 1523 2140 1306 368 1296 1033 -1755 -1235 2468 394 111 769 -1454 -2379 -3275 -2166 -2342 -80 273 -1151 149 97 246 -489 203 -589 -1147 -817 -139 338 -79 1282 1989 1137 1528 812 132 -523 -153 722 2549 2086 1331 869 -571 -687 -839 599 1244 318 1628 749 445 2 -938 -1738 -1812 -2196 -2135 -1944 -1982 -1699 -1471 -902 -696 102 753 770 1111 309 -26 -738 -1016 -771 303 679 232 656 -279 -783 -1512 -616 -904 -1213 -878 -514 317 401 1189 1524 562 285 -247 -274 407 27 17 550 547 682 307 913 669 583 -397 -131 -318 504 190 -559 -326 -213 -221 -117 -147 525 670 58 483 -575 -740 -929 -1594 67 1337 -309 -946 -928 701 183 -380 -221 -949 -722 -205 441 128 -321 -363 -52 567 714 720 771 1087 691 187 667 529 -955 -623 1154 191 56 407 -796 -1261 -1720 -1202 -1365 -53 193 -899 120 80 204 -408 166 -474 -894 -614 -103 255 -63 1057 1695 1002 1361 735 120 -473 -138 665 2269 1987 1327 856 -529 -633 -749 550 1162 325 1718 801 461 2 -901 -1525 -1502 -1870 -1985 -1851 -2058 -1872 -1591 -1035 -850 122 923 943 1392 362 -28 -780 -1035 -811 341 781 291 801 -360 -962 -1752 -684 -1041 -1499 -1144 -655 417 550 1696 2104 780 402 -324 -353 491 33 22 738 731 935 421 1213 853 751 -491 -155 -378 621 246 -759 -422 -280 -301 -168 -220 761 989 87 702 -873 -1096 -1365 SS 20250710T190915.5Z 9322.798096 341 1 0.62 2 30.39 244.26 152.73 71.80 0.00 1 0.00 1 0 17 1.229e-02 1.004e-02 6.097e-03 4.618e-03 1.627651e-01 2.512437e-03 1.945139e-03 -6.000000e+00 7.485998e-03 232.78 -2.00 3.48 -2.00 314.41 0.00e+00 5.321824e-04 1.983930e-04 7.302813e-05 -6.000000e+00 3.361878e-04 289.99 -2.00 20.00 -2.00 313.77 0.00e+00 1.159 0.000 302.00 328.00 3 3.1149e+00 6.4683e-03 1.4382e-02 -6.0000e+00 1.8756e-02 3.0049e-02 7.1428e-03 8.3813e-03 -6.0000e+00 2.0255e-02 -5.5885e-03 4.0849e-03 4.0341e-03 -6.0000e+00 1.2081e-02 -3.3514e-03 1.7216e-03 1.0956e-03 -6.0000e+00 5.0077e-03 6.3057e-03 -4.1002e-04 1.4456e-04 1.7703e-05 -6.0000e+00 3.8105e-04 7.3722e-03 -3.9228e-05 12 9 9 12 1 1 999.00 23.50 0.72 0.00737 0.00429 1 27 1 5 0 309.440 26.21 20.00 23.50 41.29 6.5 1100.00 1743 -735 -433 -4709 -558 -3429 -1326 -1379 -793 -1525 -832 -400 -671 99 -3 1313 757 2009 984 1752 -1573 2097 1814 1907 738 1664 -99 -1343 -886 -403 1056 2115 1361 -2503 -1478 -3054 -2469 -1390 226 -1425 -510 143 -260 450 -400 1034 -472 -990 597 -95 167 1622 1353 952 913 140 873 220 -481 706 781 2127 1969 1679 419 54 -1757 436 372 866 1936 273 733 132 316 -495 -1430 -2076 -1269 -1547 -2744 -2477 -2412 -1629 -1095 -769 -443 546 992 984 101 455 -1257 -643 -28 195 776 20 335 -549 -584 -2100 -758 -801 -444 -1079 -459 -265 762 617 1149 746 504 -147 200 140 -54 812 592 379 96 805 1009 775 501 1052 -57 542 328 319 -451 442 -507 119 -1 648 -111 37 517 16 -1369 -1260 -992 694 -301 -179 -1921 -211 -1256 -486 -549 -342 -647 -350 -168 -302 49 -2 713 403 1079 547 989 -931 1193 1045 1134 460 994 -60 -821 -503 -232 609 1188 806 -1561 -875 -1802 -1548 -930 165 -1101 -426 118 -221 383 -342 861 -407 -827 475 -76 136 1367 1143 840 827 129 810 204 -445 646 704 2005 1898 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