File name: Pandora75s1_EssexMD_20251110_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20251111T045325.9Z 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_20251110_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: 20251110 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 20251110T141823.7Z 9445.596108 335 1 1.03 2 66.76 140.37 58.47 276.29 0.00 1 0.00 1 0 17 2.027e-02 8.230e-03 8.674e-03 2.888e-03 3.171390e-01 1.491057e-03 3.741171e-03 -6.000000e+00 1.195207e-02 223.99 -2.00 3.48 -2.00 317.16 0.00e+00 9.163964e-04 2.123876e-04 2.773575e-04 -6.000000e+00 5.370029e-04 282.33 -2.00 20.00 -2.00 316.43 0.00e+00 2.515 0.000 302.00 328.00 3 1.6683e+00 3.8993e-03 2.9546e-02 -6.0000e+00 2.9402e-02 1.3978e-02 4.3981e-03 1.5740e-02 -6.0000e+00 3.1998e-02 -2.8479e-03 2.6136e-03 7.7959e-03 -6.0000e+00 1.9132e-02 -5.6426e-03 1.2589e-03 2.2644e-03 -6.0000e+00 8.0095e-03 5.5685e-03 2.9608e-04 9.0733e-05 2.8774e-05 -6.0000e+00 6.2665e-04 9.7634e-03 8.7990e-05 12 9 1 12 1 1 -18.67 23.44 0.40 0.00976 0.01199 6 57 1 5 0 146.420 26.21 20.00 23.44 14.60 7.6 927.51 -7292 -1448 -3841 -4303 -11062 -5770 -8315 -5074 -3325 -1409 -6765 -4796 -1809 -924 135 -109 711 756 2523 2177 288 766 1223 1391 846 94 -1232 -1415 -266 366 -659 148 1127 -2239 -2636 -3593 -1157 -809 -158 -885 -182 -732 1229 913 64 1319 1325 267 -385 653 936 1319 933 1956 1465 208 1219 -277 419 132 529 681 2297 1296 959 177 -777 -136 366 1293 877 168 716 478 -120 -741 -1702 -2388 -1780 -1884 -2031 -2076 -1699 -2147 -1012 -313 843 699 356 712 508 82 -547 -301 -294 -88 754 573 210 -443 -1106 -1955 -869 -994 -880 -713 -475 -90 688 754 985 671 135 73 79 -275 -78 536 597 473 372 606 757 691 392 58 322 155 139 -109 204 -449 2 -161 326 -76 338 324 -74 111 -619 -872 -741 -805 -168 -475 -516 -1309 -621 -956 -623 -444 -197 -1021 -678 -279 -164 27 -25 173 177 609 547 75 201 327 391 252 29 -391 -432 -77 105 -203 49 403 -791 -910 -1245 -423 -341 -73 -447 -101 -433 691 524 37 757 754 161 -234 375 566 852 608 1332 1042 153 906 -208 309 98 402 524 1888 1082 808 143 -633 -109 295 1149 809 163 690 444 -110 -618 -1390 -1906 -1489 -1674 -1931 -2078 -1738 -2338 -1113 -364 978 835 426 851 566 89 -581 -315 -312 -98 897 720 278 -584 -1383 -2386 -1047 -1179 -1113 -915 -640 -122 949 1109 1465 1014 199 104 110 -365 -103 735 838 698 558 895 1086 988 535 79 424 209 192 -156 308 -679 3 -253 539 -128 580 547 -126 188 -1020 -1440 -1210 SS 20251110T153509.0Z 9445.649410 383 1 51.78 2 59.27 159.16 72.66 286.52 0.00 1 0.00 1 0 17 1.838e-01 3.352e-02 4.978e-02 9.709e-03 2.386679e-01 5.036395e-03 3.101546e-03 -6.000000e+00 1.096354e-01 223.99 -2.00 3.48 -2.00 317.89 0.00e+00 3.353605e-03 8.423950e-04 8.748703e-04 -6.000000e+00 4.896806e-03 282.33 -2.00 20.00 -2.00 317.17 0.00e+00 1.949 0.000 302.00 328.00 3 7.5182e+00 1.3270e-02 2.2876e-02 -6.0000e+00 2.6980e-01 9.7004e-03 1.4949e-02 1.2214e-02 -6.0000e+00 2.9252e-01 -2.8079e-02 9.3081e-03 6.2504e-03 -6.0000e+00 1.7477e-01 2.6962e-02 4.7127e-03 2.0541e-03 -6.0000e+00 7.4766e-02 3.0813e-05 -6.4464e-03 3.1432e-04 2.5758e-05 -6.0000e+00 5.7094e-03 2.3702e-02 -1.3694e-03 12 9 8 11 40 0 100.00 23.47 -0.78 0.02370 -0.02474 20 3 2 5 0 2588.930 26.21 20.00 23.47 15.73 7.7 936.55 -77946 16951 124267 60601 -26557 -12309 72041 -18149 11313 29368 -1935 10164 23679 68412 28251 -514 34885 11730 -11076 256 27065 19901 9720 623 -2352 6940 -460 -11459 -3806 39942 9177 7233 6446 -4791 7853 5642 1246 -16632 12789 9446 -5760 3815 7127 5580 -7085 7218 6167 -758 -6141 10009 6777 -4077 1820 8159 -255 5545 -1006 -3203 -6680 -3918 2927 10742 4286 -1924 2488 -6176 -644 -7524 1306 2516 -1736 3388 -2645 -2334 -1147 -2715 -2894 3760 -2044 -9106 -814 -2885 -1901 -2220 -2180 1029 -1026 1259 1161 514 -329 1099 -1975 110 -3915 3563 1957 -297 3889 2361 -151 -3064 -1438 -1218 -2867 -2244 -691 1857 125 1983 4559 570 -1102 -1217 351 3395 989 380 -548 1669 3066 930 1920 -557 441 -3756 576 -4959 3962 1984 -1397 -3296 -1397 -1795 -983 -589 -1601 2621 -952 2413 333 92 900000 -16636 1517 3850 3338 -3177 -1218 3162 -2124 1061 2376 -215 1041 2364 5005 3501 -93 4654 2049 -2516 53 4791 3768 2061 149 -599 1643 -116 -3070 -901 6088 2007 1732 1654 -1392 1933 1415 354 -6503 4371 3810 -2939 1853 3448 2779 -4018 3540 3007 -388 -3261 4567 3343 -2378 1054 4634 -161 3370 -658 -2129 -4547 -2611 1895 6905 3165 -1583 1934 -4900 -454 -5606 946 1994 -1553 2992 -2472 -2088 -942 -2054 -2011 2364 -1430 -7603 -697 -2764 -1924 -2381 -2497 1216 -1183 1459 1342 631 -377 1140 -1960 105 -4095 3802 2353 -398 5225 3160 -195 -3808 -1697 -1483 -3795 -3121 -993 2729 179 2948 6871 895 -1689 -1740 503 4487 1341 542 -840 2642 4880 1497 2977 -848 631 -5337 757 -6980 5390 2919 -2223 -5492 -2339 -2854 -1633 -1016 -2870 4583 -1723 4118 561 166 900000 SS 20251110T154237.8Z 9445.654604 389 1 4.56 2 58.78 161.17 74.01 287.52 0.00 1 0.00 1 0 17 1.257e-02 7.957e-03 3.442e-03 1.672e-03 2.498699e-01 8.690757e-04 2.982905e-03 -6.000000e+00 7.410640e-03 223.99 -2.00 3.48 -2.00 316.22 0.00e+00 7.528162e-04 9.850236e-05 1.837808e-04 -6.000000e+00 3.329793e-04 282.33 -2.00 20.00 -2.00 315.53 0.00e+00 1.922 0.000 302.00 328.00 3 2.8228e+00 2.2357e-03 2.2781e-02 -6.0000e+00 1.8230e-02 1.3837e-02 2.5075e-03 1.2378e-02 -6.0000e+00 1.9840e-02 -7.4174e-04 1.4480e-03 6.1243e-03 -6.0000e+00 1.1863e-02 -5.3126e-03 6.6268e-04 1.7576e-03 -6.0000e+00 4.9657e-03 3.4549e-03 1.6033e-04 5.2810e-05 2.3876e-05 -6.0000e+00 3.8861e-04 9.8103e-03 5.8625e-05 12 9 1 12 1 1 99.97 23.47 0.41 0.00981 0.01102 17 33 2 5 0 253.010 26.21 20.00 23.47 16.14 7.5 937.40 -2446 227 -1179 -1682 -2846 -1796 -2542 -2122 -390 -3387 -4413 -4048 -1035 -651 -258 462 831 2029 923 1199 2009 2216 919 1735 1676 1368 158 -423 -500 399 174 987 823 -2321 -3414 -3593 -2265 -1931 -52 -420 -867 -282 70 209 90 132 -169 -298 -739 -309 624 1203 1104 979 876 985 774 275 445 279 1109 1695 2135 1738 953 78 -570 -344 660 1477 627 863 719 395 -399 -725 -1454 -1896 -1466 -1756 -1831 -1929 -2065 -1439 -956 -473 321 604 429 357 291 -415 -706 -492 -210 14 336 480 250 -364 -938 -1322 -792 -596 -511 -862 -683 -214 659 884 935 835 383 -83 -76 17 47 324 499 539 271 704 554 414 562 297 62 169 421 -28 -389 -499 -158 -143 201 77 261 410 51 85 -384 -840 -911 -448 44 -240 -330 -516 -306 -451 -411 -82 -771 -1029 -970 -264 -173 -77 151 287 720 317 424 717 791 339 662 671 566 66 -170 -190 148 67 406 362 -1079 -1552 -1619 -1084 -984 -29 -252 -575 -196 50 142 61 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