File name: Pandora64s1_NewHavenCT_20241217_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241218T045517.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241217_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20241217 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20241217T150856.3Z 9117.631207 378 1 48.36 2 68.65 155.61 95.68 310.58 0.00 1 0.00 1 0 25 1.524e-02 7.238e-03 2.021e-03 4.587e-04 3.408012e-01 2.405182e-04 4.129633e-03 -6.000000e+00 9.040658e-03 222.80 -2.00 3.52 -2.00 317.80 0.00e+00 5.512337e-04 3.999622e-05 1.713234e-04 -6.000000e+00 3.963222e-04 276.70 -2.00 20.00 -2.00 317.20 0.00e+00 2.721 0.000 302.00 328.00 3 1.0104e+00 6.3302e-04 3.2070e-02 -6.0000e+00 2.2248e-02 1.2521e-02 7.1282e-04 1.7289e-02 -6.0000e+00 2.4161e-02 -6.3329e-03 4.5352e-04 8.6540e-03 -6.0000e+00 1.4395e-02 -3.4152e-03 2.3204e-04 2.5414e-03 -6.0000e+00 6.1494e-03 8.5490e-03 -3.9864e-04 1.4219e-05 3.1083e-05 -6.0000e+00 4.5246e-04 -4.4355e-03 -4.0724e-05 11 8 0 10 0 0 99.80 21.10 0.19 -0.00444 -0.00743 396 95 2 5 0 122.110 25.58 20.00 21.10 18.03 39.3 990.30 -872 -1696 -1062 -4789 -10633 -3363 -2300 -442 -740 -1575 -4856 -3261 -1676 -970 594 -150 -653 503 134 1389 658 -761 844 555 242 510 -221 -1694 -1350 -873 1228 -428 1875 -649 -4643 -2753 -1844 -1180 444 27 -730 -940 -37 -980 -94 170 -367 117 -499 -117 1397 1216 1074 1460 368 923 1144 518 188 478 651 1493 1333 2218 692 -1158 -43 -1178 821 1498 309 471 -251 460 26 -793 -712 -1793 -518 -383 -1379 -739 -2031 -1961 -592 -534 102 164 821 533 238 475 -589 138 840 395 -33 1066 493 -408 -430 -1417 -1628 243 314 -1397 -347 -821 -242 312 688 295 200 108 -68 -29 552 -149 607 374 -106 -284 670 111 986 891 -845 554 928 305 462 -548 -651 -412 435 -148 -501 287 224 -374 123 -702 -61 -127 -80 -344 -752 -226 -166 -35 -65 -145 -468 -343 -202 -135 86 -24 -110 89 25 265 127 -150 173 121 55 120 -52 -378 -292 -196 297 -114 534 -189 -1332 -816 -564 -423 187 12 -352 -475 -19 -513 -49 88 -190 60 -259 -63 747 697 654 937 245 588 737 332 127 326 437 1079 1043 1709 526 -893 -32 -899 641 1296 271 423 -221 406 21 -625 -529 -1348 -424 -334 -1277 -750 -2088 -2134 -650 -619 123 200 981 604 264 488 -612 139 914 456 -40 1411 643 -541 -535 -1733 -1947 303 399 -1879 -466 -1167 -349 479 1055 452 307 155 -96 -39 766 -217 899 575 -164 -428 976 162 1370 1188 -1167 757 1366 462 705 -867 -1067 -680 756 -257 -892 517 399 -645 212 -1183 SS 20241217T151818.8Z 9117.637717 381 1 48.34 2 67.95 157.80 96.97 312.16 0.00 1 0.00 1 0 25 1.378e-02 7.190e-03 1.205e-03 3.050e-04 3.309277e-01 1.601111e-04 4.018961e-03 -6.000000e+00 8.176115e-03 222.80 -2.00 3.52 -2.00 317.64 0.00e+00 5.898261e-04 2.533015e-05 1.472159e-04 -6.000000e+00 3.584309e-04 276.70 -2.00 20.00 -2.00 317.04 0.00e+00 2.641 0.000 302.00 328.00 3 9.5085e-01 4.1996e-04 3.1123e-02 -6.0000e+00 2.0120e-02 1.0558e-02 4.7256e-04 1.6771e-02 -6.0000e+00 2.1851e-02 -6.0363e-03 2.9563e-04 8.3960e-03 -6.0000e+00 1.3019e-02 -3.3243e-03 1.4948e-04 2.4684e-03 -6.0000e+00 5.5611e-03 9.9481e-03 -5.1858e-04 9.4543e-06 3.0539e-05 -6.0000e+00 4.0922e-04 -4.4613e-03 -6.3944e-05 11 8 0 10 0 0 84.74 21.12 0.19 -0.00446 -0.00836 884 213 1 5 0 54.670 25.68 19.99 21.12 19.41 39.3 998.36 -609 -1806 -1265 -4845 -7589 -3070 -2632 -652 -860 -1210 -5310 -2736 -1344 -766 344 443 -932 772 199 1440 853 -410 698 814 90 705 -194 -1467 -1186 -370 1561 -213 1884 -731 -4784 -2666 -1713 -1058 385 135 -899 -943 -97 -784 -260 148 -470 127 -401 -203 1301 610 869 1412 377 806 1101 486 175 416 638 1473 1351 2172 687 -1214 -79 -1331 788 1540 299 444 -180 470 114 -818 -740 -1856 -577 -397 -1226 -782 -2020 -2010 -592 -511 117 174 843 445 331 420 -616 112 871 391 -12 1030 521 -503 -370 -1411 -1634 198 327 -1400 -266 -742 -295 297 707 259 158 97 -82 -91 615 -109 553 433 -128 -273 634 107 935 867 -837 522 904 300 426 -540 -634 -374 445 -123 -470 321 218 -389 55 -715 -49 -155 -109 -398 -594 -234 -217 -59 -86 -126 -581 -322 -166 -109 56 78 -176 152 41 304 183 -89 158 196 23 183 -50 -360 -282 -91 412 -57 540 -214 -1380 -793 -568 -411 163 65 -439 -481 -51 -413 -137 78 -245 66 -209 -109 746 376 531 907 251 548 757 332 118 284 456 1068 1059 1779 555 -934 -59 -1012 650 1328 277 420 -168 413 98 -642 -546 -1384 -468 -343 -1189 -789 -2067 -2177 -681 -592 140 212 1006 504 365 452 -634 118 938 446 -15 1354 705 -662 -456 -1710 -1937 244 413 -1872 -356 -1048 -425 453 1079 395 240 139 -114 -122 843 -158 811 659 -196 -409 917 154 1288 1197 -1141 706 1314 447 669 -842 -1026 -610 764 -211 -828 571 384 -665 95 -1193 SS 20241217T152821.3Z 9117.644691 384 1 48.33 2 67.27 160.18 98.31 313.89 0.00 1 0.00 1 0 17 1.311e-02 7.263e-03 1.108e-03 3.011e-04 3.222732e-01 1.579565e-04 3.921973e-03 -6.000000e+00 7.779637e-03 222.80 -2.00 3.52 -2.00 317.52 0.00e+00 5.774705e-04 2.428983e-05 1.481929e-04 -6.000000e+00 3.410447e-04 276.70 -2.00 20.00 -2.00 316.92 0.00e+00 2.568 0.000 302.00 328.00 3 1.0127e+00 4.1388e-04 3.0282e-02 -6.0000e+00 1.9145e-02 9.9912e-03 4.6493e-04 1.6342e-02 -6.0000e+00 2.0791e-02 -6.4017e-03 2.8783e-04 8.1696e-03 -6.0000e+00 1.2387e-02 -2.7172e-03 1.4461e-04 2.3934e-03 -6.0000e+00 5.2916e-03 1.0162e-02 -5.2235e-04 9.3395e-06 2.9922e-05 -6.0000e+00 3.8936e-04 -4.6774e-03 -6.2031e-05 11 9 0 11 8 0 91.09 21.15 0.17 -0.00468 -0.00860 880 212 1 5 0 54.910 25.68 20.00 21.15 20.88 39.4 1003.48 186 -1570 -605 -4099 -7197 -3483 -2168 -283 -271 -990 -4353 -2722 -970 -888 321 381 -740 854 434 1761 1018 -411 864 802 90 616 -104 -1591 -1191 -295 1411 -377 1911 -706 -4718 -2543 -1865 -985 303 -44 -877 -968 -154 -874 -237 169 -513 -9 -531 -235 1272 741 904 1411 376 892 1134 583 183 422 678 1433 1345 2188 601 -1228 -133 -1266 788 1675 299 451 -223 494 -29 -857 -786 -1836 -613 -393 -1251 -746 -2031 -2007 -612 -469 62 261 863 455 319 454 -598 93 808 382 -92 1055 508 -487 -451 -1435 -1581 171 301 -1398 -307 -755 -247 273 729 335 192 132 -94 -25 614 -135 542 354 -108 -281 651 125 947 885 -809 548 920 270 420 -522 -627 -367 419 -124 -490 324 195 -418 51 -678 16 -147 -57 -365 -613 -291 -194 -28 -29 -112 -511 -347 -129 -136 56 72 -149 179 95 395 232 -95 208 205 22 157 -26 -414 -299 -76 362 -106 573 -216 -1422 -789 -647 -370 134 -22 -446 -514 -84 -479 -130 92 -277 -5 -286 -131 752 441 568 932 256 622 799 409 127 295 497 1066 1080 1833 496 -964 -101 -979 660 1466 281 411 -211 442 -24 -684 -590 -1388 -503 -343 -1162 -759 -2100 -2195 -677 -548 75 320 1040 521 355 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