File name: Pandora75s1_EssexMD_20250316_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250317T052122.7Z 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_20250316_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: 20250316 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 20250316T210912.8Z 9206.881398 589 1 51.86 2 67.27 247.87 140.30 56.41 0.00 1 0.00 1 0 17 5.178e-02 8.425e-03 1.124e-02 1.882e-03 3.497626e-01 9.737653e-04 4.106575e-03 -6.000000e+00 3.080189e-02 226.45 -2.00 3.48 -2.00 318.39 0.00e+00 1.610185e-03 1.917835e-04 5.626402e-04 -6.000000e+00 1.349761e-03 278.38 -2.00 20.00 -2.00 317.74 0.00e+00 2.567 0.000 302.00 328.00 3 4.4467e+00 2.6203e-03 3.1142e-02 -6.0000e+00 7.6301e-02 1.4771e-02 2.9775e-03 1.7713e-02 -6.0000e+00 8.2963e-02 5.0218e-03 1.9659e-03 8.8513e-03 -6.0000e+00 4.9389e-02 -6.7004e-03 1.0079e-03 2.6941e-03 -6.0000e+00 2.0491e-02 3.0891e-04 -8.4042e-04 5.9797e-05 3.3145e-05 -6.0000e+00 1.6020e-03 5.2330e-03 -1.6467e-04 11 8 0 10 0 0 99.99 23.78 0.53 0.00523 -0.00108 60 10 1 5 0 864.260 26.41 20.00 23.78 24.68 5.9 1003.02 -43661 -11260 13912 -4487 -12562 -14421 -17615 -17293 -8919 -4468 -3624 -8372 -1502 -2733 -3423 -2169 -2554 1099 -1327 -2045 4939 3224 2852 -752 -580 -1243 -2685 -3433 -2723 2630 132 -1405 1493 -2457 -2805 -1552 -1262 -799 2060 478 -651 -278 -142 790 100 1970 445 -123 -122 1375 161 -523 1217 2497 1814 1902 857 -285 -1131 306 850 2212 2396 1597 517 -145 -162 -321 772 1197 736 1361 435 117 8 -1057 -1796 -1928 -2128 -2400 -1653 -2003 -2016 -1332 -972 -294 353 815 1020 507 323 -507 -687 -920 -315 250 665 606 664 -403 -795 -1289 -781 -823 -998 -1281 -611 -186 430 953 1283 795 240 -191 -395 -144 -209 61 112 450 673 417 1019 667 713 -217 36 -287 412 39 -453 -646 -298 127 -150 155 325 352 196 298 -441 -593 -737 -2933 -616 621 -234 -657 -739 -970 -1048 -550 -281 -234 -599 -114 -247 -364 -258 -331 146 -190 -307 709 475 432 -124 -101 -227 -501 -624 -472 435 24 -287 324 -577 -646 -351 -307 -224 669 167 -256 -116 -61 344 44 858 196 -54 -54 611 77 -271 662 1420 1083 1068 494 -166 -656 191 499 1377 1622 1164 385 -104 -111 -218 553 951 592 1137 366 103 7 -792 -1249 -1306 -1527 -1941 -1382 -1863 -2021 -1406 -1014 -324 407 963 1201 578 343 -540 -687 -912 -330 269 797 801 864 -524 -1051 -1587 -911 -981 -1269 -1730 -805 -258 629 1486 1974 1249 369 -296 -573 -199 -287 87 171 715 1013 662 1562 984 1002 -294 51 -386 588 60 -697 -1034 -491 217 -272 276 594 655 364 537 -770 -1065 -1308 SS 20250316T212611.5Z 9206.893188 598 1 4.37 2 70.34 251.01 137.65 60.96 0.00 1 0.00 1 0 17 4.963e-02 8.381e-03 1.341e-02 2.112e-03 4.004590e-01 1.095277e-03 4.652601e-03 -6.000000e+00 2.955608e-02 226.45 -2.00 3.48 -2.00 318.36 0.00e+00 1.905884e-03 2.146223e-04 6.831344e-04 -6.000000e+00 1.293971e-03 278.38 -2.00 20.00 -2.00 317.71 0.00e+00 2.939 0.000 302.00 328.00 3 1.9978e+00 2.9497e-03 3.5595e-02 -6.0000e+00 7.3218e-02 6.0384e-03 3.3496e-03 2.0133e-02 -6.0000e+00 7.9578e-02 -1.1048e-02 2.2231e-03 1.0126e-02 -6.0000e+00 4.7378e-02 1.0670e-03 1.1444e-03 3.2345e-03 -6.0000e+00 1.9679e-02 2.3569e-03 1.7446e-04 6.5794e-05 3.8452e-05 -6.0000e+00 1.5351e-03 2.8944e-03 5.9430e-05 12 9 1 12 1 1 99.93 23.79 0.51 0.00289 0.00421 20 40 1 5 0 207.870 26.41 20.00 23.79 24.62 5.9 1001.97 -26565 -15929 -1067 -9601 -16792 -17978 -15075 -15220 -14645 -17880 -11614 -15448 -8485 -5514 -2217 -1835 1692 -478 -440 -91 2107 1225 1661 366 738 200 -3262 -3235 -4135 -821 -108 -1955 -557 -2567 -4429 -4728 -3326 -1576 -652 418 273 218 321 1027 999 1479 -44 838 800 1197 1146 1116 2073 1160 1185 1130 788 -113 15 715 994 1738 3178 2236 687 6 -102 -326 785 937 1316 986 589 -175 -22 -954 -1875 -1958 -2087 -1905 -2050 -1751 -1830 -1579 -609 -263 490 788 731 618 144 -62 -989 -1081 -820 -296 312 789 192 -124 -1220 -1517 -1057 -865 -715 -1369 -537 -183 524 1138 1047 564 390 133 -94 -399 0 380 490 431 592 858 620 611 334 151 74 166 279 52 -308 -647 -397 -152 -61 164 518 284 348 147 -384 -709 -977 -1291 -794 -49 -467 -816 -852 -723 -809 -860 -1164 -739 -1094 -647 -487 -225 -212 207 -64 -63 -14 315 186 259 56 118 34 -575 -554 -692 -135 -19 -397 -123 -607 -1049 -1119 -839 -453 -203 151 110 94 133 433 426 633 -19 362 349 537 549 580 1148 641 685 674 481 -69 9 429 616 1152 2125 1624 517 4 -72 -229 585 730 1117 826 495 -151 -17 -746 -1367 -1400 -1593 -1540 -1774 -1683 -1798 -1644 -636 -291 567 888 824 707 154 -65 -990 -1079 -875 -332 373 990 257 -165 -1549 -1876 -1235 -1027 -901 -1753 -719 -247 750 1670 1635 868 614 199 -138 -559 -1 551 721 663 919 1305 918 909 476 217 103 236 410 79 -480 -1056 -669 -258 -109 295 955 533 650 266 -671 -1247 -1700 SS 20250316T213503.8Z 9206.899350 601 1 51.61 2 71.97 252.60 136.22 63.17 0.00 1 0.00 1 0 17 6.370e-02 8.126e-03 2.536e-03 3.221e-04 4.316548e-01 1.676330e-04 5.006068e-03 -6.000000e+00 3.792800e-02 226.45 -2.00 3.48 -2.00 318.62 0.00e+00 1.897085e-03 3.550263e-05 7.441907e-04 -6.000000e+00 1.660740e-03 278.38 -2.00 20.00 -2.00 317.96 0.00e+00 3.188 0.001 302.00 328.00 3 4.9349e-01 4.5522e-04 3.8559e-02 -6.0000e+00 9.3956e-02 2.5168e-04 5.1976e-04 2.1797e-02 -6.0000e+00 1.0213e-01 -1.4915e-02 3.5875e-04 1.1027e-02 -6.0000e+00 6.0802e-02 1.2444e-03 1.8611e-04 3.5371e-03 -6.0000e+00 2.5247e-02 8.0957e-03 -1.2030e-05 9.9726e-06 4.1853e-05 -6.0000e+00 1.9706e-03 3.9204e-03 2.4242e-05 11 8 0 10 0 0 92.44 23.78 0.42 0.00392 0.00383 971 158 1 5 0 53.150 26.41 20.00 23.78 24.90 5.9 1005.09 -24428 -19311 -15449 -18033 -23726 -24073 -23489 -20975 -19569 -16889 -19688 -17210 -12878 -9133 -4563 -3638 -1607 -1044 75 -103 1142 4 274 -812 -854 -1417 -2756 -3533 -3928 -2767 -1919 -103 -66 -2142 -4021 -4593 -3698 -2112 -94 11 18 265 517 817 957 1338 788 327 339 772 1062 1636 1781 1990 1544 1468 882 220 -19 395 1258 2155 2658 2292 1321 281 -206 -48 774 1432 1052 1014 718 366 -291 -1295 -2021 -2406 -2321 -1876 -1786 -1860 -1964 -1759 -852 -342 396 779 729 627 434 -171 -725 -643 -492 -60 423 596 203 -306 -1034 -1463 -970 -632 -970 -1021 -579 -272 487 851 804 493 257 -116 -295 -169 87 406 489 457 554 762 794 663 544 64 52 176 184 5 -270 -511 -369 -81 38 159 449 371 150 114 -353 -730 -860 -852 -734 -601 -709 -922 -908 -923 -892 -915 -828 -1039 -958 -800 -659 -376 -343 -164 -114 9 -13 141 0 36 -113 -127 -221 -442 -557 -605 -432 -327 -18 -12 -438 -825 -947 -819 -535 -28 4 7 101 206 333 394 555 330 138 146 317 467 778 913 1010 826 812 501 126 -11 222 725 1330 1676 1567 934 194 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