File name: Pandora75s1_EssexMD_20240721_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T073902.8Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240721_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: 20240721 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 20240721T115049.3Z 8968.493626 249 1 51.65 2 70.06 79.62 111.94 254.65 0.00 1 0.00 1 0 17 4.708e-02 7.834e-03 3.161e-03 4.720e-04 4.035810e-01 2.502494e-04 4.687200e-03 -6.000000e+00 2.866895e-02 232.54 -2.00 3.48 -2.00 318.45 0.00e+00 1.313600e-03 5.147759e-05 8.575384e-04 -6.000000e+00 1.291439e-03 290.62 -2.00 20.00 -2.00 317.57 0.00e+00 2.901 0.000 302.00 328.00 3 1.5201e+00 6.8618e-04 3.6007e-02 -6.0000e+00 7.1771e-02 -1.7031e-02 7.8224e-04 2.1159e-02 -6.0000e+00 7.7495e-02 -1.6561e-02 5.0752e-04 1.0181e-02 -6.0000e+00 4.6253e-02 7.4744e-04 2.5927e-04 2.7492e-03 -6.0000e+00 1.9208e-02 3.9459e-03 8.5624e-06 1.4693e-05 3.2973e-05 -6.0000e+00 1.4595e-03 4.6527e-03 2.3732e-05 11 8 0 10 0 0 76.64 23.81 0.47 0.00465 0.00472 420 68 1 5 0 122.970 26.51 20.01 23.81 33.84 4.4 1050.17 -16991 -12761 -11654 -13162 -18215 -18393 -17047 -14309 -13552 -14296 -14072 -13307 -8710 -7552 -3295 -2788 -1242 -60 151 -157 1268 141 403 -63 -347 346 -2365 -2484 -3368 -975 -1057 -472 -215 -2483 -4110 -4510 -3311 -1794 216 -66 65 431 553 676 767 902 317 411 -48 491 838 1417 1657 1727 1287 1240 867 349 85 452 1221 2021 2448 2221 1273 125 -216 23 813 1358 866 1006 673 286 -251 -1013 -1765 -2106 -2154 -1834 -1792 -1944 -1833 -1716 -693 -316 394 798 750 571 362 -122 -656 -563 -495 -37 309 474 90 -491 -1092 -1588 -1057 -642 -982 -1079 -557 -263 461 837 877 560 353 26 -138 16 177 444 424 454 434 705 697 640 563 56 69 310 269 -5 -259 -523 -318 -37 19 91 414 354 126 53 -389 -728 -811 -702 -576 -550 -618 -839 -821 -788 -715 -750 -857 -878 -883 -635 -648 -320 -308 -148 -8 20 -22 181 21 61 -10 -54 56 -398 -407 -538 -170 -183 -91 -45 -563 -930 -1024 -806 -501 65 -23 26 181 223 278 318 377 133 173 -21 215 392 715 898 926 726 723 518 210 51 268 743 1315 1622 1585 934 89 -149 16 596 1040 729 834 559 243 -200 -786 -1276 -1497 -1635 -1473 -1537 -1861 -1793 -1782 -722 -350 456 899 845 655 388 -129 -656 -561 -528 -41 371 600 121 -659 -1393 -1979 -1246 -769 -1257 -1395 -755 -360 669 1250 1333 874 540 40 -197 23 252 657 636 685 662 1100 1057 934 820 79 94 433 387 -8 -415 -842 -531 -64 34 163 760 661 235 96 -707 -1279 -1408 SS 20240721T120030.3Z 8968.500351 252 1 51.67 2 68.22 81.03 113.66 255.96 0.00 1 0.00 1 0 17 3.044e-02 7.654e-03 1.962e-03 3.773e-04 3.740367e-01 2.001702e-04 4.342966e-03 -6.000000e+00 1.853590e-02 232.54 -2.00 3.48 -2.00 318.07 0.00e+00 1.151181e-03 3.670499e-05 6.410170e-04 -6.000000e+00 8.350053e-04 290.62 -2.00 20.00 -2.00 317.18 0.00e+00 2.670 0.000 302.00 328.00 3 1.3447e+00 5.4251e-04 3.3172e-02 -6.0000e+00 4.6403e-02 -1.6244e-02 6.1444e-04 1.9452e-02 -6.0000e+00 5.0105e-02 -1.2414e-02 3.8472e-04 9.3770e-03 -6.0000e+00 2.9905e-02 -7.5095e-04 1.9358e-04 2.5460e-03 -6.0000e+00 1.2418e-02 6.0876e-03 -6.1306e-05 1.1820e-05 3.0579e-05 -6.0000e+00 9.4367e-04 4.5959e-03 1.0073e-05 11 8 0 10 0 0 48.34 23.81 0.46 0.00460 0.00414 579 94 1 5 0 89.080 26.51 19.99 23.81 34.62 4.4 1055.89 -9193 -6427 -6385 -8543 -11185 -11975 -10521 -10238 -8402 -9519 -9478 -8973 -6386 -3828 -1828 -947 -307 659 891 768 1609 808 1312 532 619 297 -1248 -2014 -1692 -1327 -762 -157 137 -2040 -3888 -3990 -3157 -1415 36 45 -221 134 428 566 614 861 276 6 48 289 802 1053 1449 1390 1147 1150 771 334 52 480 1238 2028 2388 2101 1051 153 -296 -133 776 1337 849 853 734 255 -211 -1110 -1782 -2078 -2054 -1833 -1793 -1845 -2013 -1649 -776 -334 391 807 673 567 414 -43 -570 -464 -367 -70 355 463 26 -432 -1027 -1467 -1043 -554 -929 -1066 -579 -272 474 861 849 616 322 47 -144 -26 174 443 525 381 421 603 655 638 550 73 9 327 212 -16 -262 -463 -313 -5 80 82 416 334 104 45 -374 -749 -820 -500 -385 -402 -537 -670 -698 -632 -680 -610 -749 -773 -774 -612 -422 -231 -135 -43 98 139 125 268 137 228 99 122 61 -264 -415 -334 -264 -162 -37 35 -560 -1065 -1091 -927 -435 13 18 -96 62 206 277 303 426 137 3 24 148 403 571 839 800 691 715 490 213 33 302 800 1399 1680 1588 814 115 -213 -95 589 1062 741 736 635 226 -174 -892 -1330 -1517 -1591 -1503 -1571 -1798 -2011 -1744 -826 -378 440 932 778 664 453 -46 -576 -465 -392 -79 426 586 34 -577 -1307 -1822 -1229 -663 -1190 -1383 -788 -373 659 1282 1287 954 488 70 -201 -36 243 642 774 589 634 930 981 918 788 100 12 447 311 -25 -407 -753 -506 -9 138 147 741 604 189 79 -659 -1280 -1385 SS 20240721T120708.1Z 8968.504955 256 1 51.58 2 66.95 82.00 114.84 256.86 0.00 1 0.00 1 0 17 2.487e-02 7.621e-03 1.511e-03 3.400e-04 3.549947e-01 1.805522e-04 4.121885e-03 -6.000000e+00 1.514412e-02 232.54 -2.00 3.48 -2.00 317.84 0.00e+00 1.174805e-03 3.094086e-05 5.361134e-04 -6.000000e+00 6.822348e-04 290.62 -2.00 20.00 -2.00 316.94 0.00e+00 2.534 0.000 302.00 328.00 3 1.3058e+00 4.8696e-04 3.1453e-02 -6.0000e+00 3.7912e-02 -1.7875e-02 5.4995e-04 1.8386e-02 -6.0000e+00 4.0937e-02 -9.6918e-03 3.3613e-04 8.8737e-03 -6.0000e+00 2.4433e-02 -1.7679e-03 1.6654e-04 2.4293e-03 -6.0000e+00 1.0146e-02 7.4118e-03 -8.4105e-05 1.0685e-05 2.9092e-05 -6.0000e+00 7.7103e-04 4.5991e-03 -2.2601e-06 11 8 0 10 0 0 22.93 23.81 0.46 0.00460 0.00397 658 107 1 5 0 78.380 26.51 20.00 23.81 35.37 4.4 1061.66 -6143 -4435 -4419 -7811 -10029 -10713 -8589 -6686 -6180 -6952 -7727 -7098 -5184 -2998 -1274 -1091 -21 386 1062 1152 1472 1069 1420 743 674 454 -807 -1739 -1593 -841 -487 561 78 -1782 -3731 -3612 -2944 -1567 -7 -98 -215 93 283 464 478 630 233 33 -253 377 684 1113 1286 1402 1023 1179 811 262 172 455 1141 1928 2411 1992 1049 83 -299 -64 782 1250 829 850 651 237 -271 -1038 -1777 -2036 -1980 -1779 -1800 -1888 -1969 -1696 -787 -369 387 759 668 545 433 -68 -514 -415 -317 -34 391 501 57 -444 -1091 -1488 -968 -574 -936 -1042 -569 -287 441 854 866 571 369 18 -83 -37 126 405 504 416 445 639 662 644 538 131 122 266 257 33 -206 -461 -305 -5 40 91 372 316 103 27 -368 -753 -813 -398 -319 -333 -593 -722 -747 -612 -517 -528 -641 -742 -717 -582 -387 -188 -166 -3 67 192 217 283 209 284 158 152 107 -194 -407 -358 -188 -117 147 22 -498 -1040 -1093 -877 -534 -3 -42 -103 44 139 232 241 318 118 17 -128 193 372 650 750 866 662 784 552 179 117 307 790 1334 1809 1509 811 62 -227 -48 587 1042 716 769 590 208 -235 -824 -1390 -1553 -1596 -1515 -1636 -1806 -2033 -1761 -866 -411 450 906 798 628 490 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