File name: Pandora75s1_EssexMD_20250505_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250506T050957.8Z 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_20250505_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: 20250505 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 20250505T181320.7Z 9256.759267 406 1 1.14 2 27.55 219.04 83.32 78.22 0.00 1 0.00 1 0 17 1.108e-02 9.204e-03 6.133e-03 4.657e-03 1.636717e-01 2.512462e-03 1.941352e-03 -6.000000e+00 6.694001e-03 230.39 -2.00 3.48 -2.00 314.39 0.00e+00 3.500062e-04 1.939307e-04 7.990831e-05 -6.000000e+00 2.951773e-04 283.56 -2.00 20.00 -2.00 313.84 0.00e+00 1.128 0.000 302.00 328.00 3 3.7688e+00 6.4354e-03 1.4053e-02 -6.0000e+00 1.6709e-02 3.4113e-02 7.1235e-03 8.2487e-03 -6.0000e+00 1.8097e-02 -9.3657e-03 4.0748e-03 4.0114e-03 -6.0000e+00 1.0773e-02 -2.0927e-03 1.7162e-03 1.0988e-03 -6.0000e+00 4.4583e-03 3.3797e-03 -2.9479e-04 1.4553e-04 1.7661e-05 -6.0000e+00 3.4334e-04 6.1183e-03 -2.2604e-05 12 9 1 12 1 1 999.00 23.86 0.46 0.00612 0.00390 1 15 1 5 0 567.170 26.51 19.98 23.86 29.21 6.2 1034.74 124 193 -1043 -1171 -1126 -3909 -272 354 654 -145 -1027 -2599 -1245 83 -681 368 -198 1580 663 2536 1809 1580 1364 2355 524 1222 -357 -1018 249 -408 1316 69 1283 -1238 -2755 -2689 -1326 -2382 586 -540 -1135 -92 -490 684 34 -1155 -140 -1357 161 -745 -114 644 580 1059 231 768 1365 604 -939 460 1621 2475 1711 1584 -440 -252 45 -890 1623 1301 1530 1015 474 -292 -21 -166 -566 -1788 -1550 -1897 -1862 -2385 -2092 -1830 -997 -639 188 1065 729 548 -97 -184 -1136 164 -355 993 135 862 598 -260 -616 -1603 -894 -593 -706 -823 -1022 -90 117 477 772 1238 72 313 21 -215 513 -68 733 102 959 1169 308 302 933 329 368 247 140 -1 -740 -522 184 -115 -210 -99 291 -13 78 -115 5 -781 -740 48 80 -445 -473 -442 -1480 -101 143 266 -62 -443 -1144 -576 39 -356 192 -107 862 374 1435 1045 912 797 1408 312 739 -217 -627 141 -223 718 40 766 -768 -1663 -1591 -826 -1612 426 -433 -947 -79 -414 576 29 -974 -120 -1129 128 -590 -92 543 513 923 208 698 1245 553 -863 417 1493 2287 1697 1565 -436 -242 41 -804 1489 1259 1534 1070 504 -303 -21 -160 -520 -1569 -1386 -1772 -1833 -2462 -2291 -2019 -1117 -761 225 1302 894 649 -111 -200 -1194 171 -368 1099 159 1048 732 -315 -738 -1890 -1011 -691 -845 -1004 -1308 -115 155 636 1059 1683 99 410 26 -256 601 -84 918 132 1262 1528 397 385 1168 393 440 297 169 -1 -942 -677 242 -152 -290 -138 417 -19 114 -165 7 -1071 -1042 SS 20250505T183507.4Z 9256.774392 415 1 51.68 2 30.46 228.01 79.33 81.52 0.00 1 0.00 1 0 17 1.111e-02 9.232e-03 5.739e-04 4.220e-04 1.638954e-01 2.271222e-04 1.938758e-03 -6.000000e+00 6.710018e-03 230.39 -2.00 3.48 -2.00 314.58 0.00e+00 6.982211e-04 1.812519e-05 7.370435e-05 -6.000000e+00 2.959546e-04 283.56 -2.00 20.00 -2.00 314.00 0.00e+00 1.160 0.000 302.00 328.00 3 3.4437e+00 5.8260e-04 1.4317e-02 -6.0000e+00 1.6749e-02 1.1438e-02 6.4544e-04 8.3032e-03 -6.0000e+00 1.8142e-02 -3.6313e-03 3.6851e-04 4.0027e-03 -6.0000e+00 1.0800e-02 -5.3500e-03 1.5553e-04 1.1189e-03 -6.0000e+00 4.4672e-03 4.5575e-03 2.6984e-04 1.3226e-05 1.6984e-05 -6.0000e+00 3.4427e-04 1.1306e-02 8.4614e-05 11 8 0 10 0 0 99.95 23.86 0.47 0.01131 0.01333 170 28 1 5 0 303.960 26.51 20.01 23.86 30.35 6.1 1042.53 394 800 -276 -1637 -2670 -2170 -967 41 64 -1309 -2228 -2058 -946 -240 567 413 343 791 1298 1377 1419 1339 1516 1396 1376 1285 182 -583 -365 -4 297 789 177 -1646 -3334 -3542 -2912 -1760 -322 -416 -553 -312 -103 12 -45 268 -160 -341 -441 -77 412 908 1110 1223 1089 1043 844 323 174 561 1086 1682 2076 1695 727 -248 -831 -600 415 1216 901 1059 812 625 47 -1005 -1844 -2400 -2441 -2014 -1933 -2054 -1908 -1678 -725 -296 487 846 729 553 264 -469 -1121 -843 -658 37 461 721 477 -135 -909 -1519 -1072 -766 -788 -821 -442 -95 564 995 1207 969 602 102 -231 -390 -154 263 536 578 675 763 816 719 631 202 -47 -4 162 50 -243 -575 -452 -172 70 200 464 406 240 161 -435 -980 -1204 147 318 -112 -638 -950 -723 -326 15 25 -547 -937 -871 -393 -110 284 208 180 422 706 766 800 753 860 819 785 751 106 -347 -202 -2 160 444 105 -943 -1986 -2081 -1706 -1167 -232 -325 -447 -263 -84 10 -39 228 -134 -274 -344 -62 326 751 960 1044 955 928 759 291 155 500 991 1543 2023 1721 732 -234 -765 -534 382 1167 898 1100 848 632 47 -963 -1701 -2108 -2201 -1881 -1900 -2102 -2073 -1835 -839 -349 599 1025 884 672 311 -508 -1170 -887 -683 41 540 876 581 -169 -1085 -1783 -1214 -895 -945 -1000 -562 -125 744 1368 1643 1316 814 134 -290 -465 -183 324 678 775 893 1004 1088 918 797 243 -57 -5 198 64 -311 -754 -603 -229 97 281 669 597 355 234 -617 -1362 -1726 SS 20250505T184730.6Z 9256.782993 425 1 1.77 2 32.30 232.49 77.05 83.39 0.00 1 0.00 1 0 17 1.119e-02 8.890e-03 4.963e-03 3.590e-03 1.667497e-01 1.927981e-03 1.982038e-03 -6.000000e+00 6.759327e-03 230.39 -2.00 3.48 -2.00 314.68 0.00e+00 7.067867e-04 1.570959e-04 3.891897e-05 -6.000000e+00 2.980923e-04 283.56 -2.00 20.00 -2.00 314.09 0.00e+00 1.182 0.000 302.00 328.00 3 3.9096e+00 4.9522e-03 1.4625e-02 -6.0000e+00 1.6872e-02 5.6168e-03 5.4882e-03 8.5187e-03 -6.0000e+00 1.8274e-02 -1.3539e-03 3.1328e-03 4.1135e-03 -6.0000e+00 1.0879e-02 -3.6853e-03 1.3272e-03 1.1722e-03 -6.0000e+00 4.5012e-03 2.7794e-03 -3.4642e-04 1.1279e-04 1.7319e-05 -6.0000e+00 3.4675e-04 7.2642e-03 -2.1176e-05 12 9 1 12 1 1 999.00 23.86 0.65 0.00726 0.00466 2 14 1 5 0 588.700 26.51 20.00 23.86 31.01 6.1 1046.10 -2131 462 562 -2482 -2628 -796 -649 352 233 121 -2077 -2309 -1024 7 664 900 -557 1338 2522 1481 1466 1380 1095 392 1789 1230 -102 -1246 -292 204 -218 1192 884 -871 -2465 -3946 -3283 -1658 -296 -162 -867 3 40 -408 472 241 -245 -1202 -286 -286 195 243 406 1866 1247 1620 912 440 -196 659 1465 742 2512 1281 427 -204 -209 -23 -34 781 503 744 1044 188 -39 -1196 -1506 -2092 -2743 -1794 -968 -2561 -2001 -1656 -1095 -559 787 603 588 191 889 -51 -108 -538 -791 492 577 1168 408 -225 -848 -713 -821 -324 -1133 -1017 -224 -337 928 997 298 675 367 -37 -245 -502 23 379 617 915 126 276 161 784 576 117 110 68 663 324 -3 -581 -243 -142 -258 -95 707 161 -298 307 -549 -854 -471 -774 176 217 -937 -898 -272 -226 122 88 48 -838 -941 -440 3 320 436 -284 685 1309 795 799 751 604 225 1049 697 -58 -726 -157 105 -115 649 507 -515 -1422 -2268 -2003 -1067 -208 -123 -686 3 34 -347 397 201 -200 -958 -231 -229 160 198 347 1636 1072 1409 807 390 -172 576 1309 709 2396 1287 426 -190 -189 -21 -31 742 520 767 1076 189 -39 -1139 -1374 -1815 -2452 -1651 -931 -2605 -2156 -1792 -1258 -654 956 727 710 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