File name: Pandora55s1_QueensNY_20240715_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240716T051222.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240715_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240715 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20240715T111834.7Z 8962.471235 88 1 50.48 2 73.08 76.04 156.08 342.56 0.00 1 0.00 1 0 25 1.048e-01 6.793e-03 2.298e-02 1.454e-03 4.707893e-01 7.755151e-04 5.434953e-03 -6.000000e+00 6.344318e-02 232.87 -2.00 3.51 -2.00 319.37 0.00e+00 9.888346e-04 2.124135e-04 2.328530e-04 -6.000000e+00 2.841214e-03 289.61 -2.00 20.00 -2.00 318.55 0.00e+00 3.383 0.001 302.00 328.00 3 2.5159e+00 2.2129e-03 4.2204e-02 -6.0000e+00 1.5908e-01 -1.3192e-02 2.6000e-03 2.5111e-02 -6.0000e+00 1.7153e-01 -1.5238e-02 1.9557e-03 1.2135e-02 -6.0000e+00 1.0219e-01 1.0183e-03 1.0156e-03 3.6837e-03 -6.0000e+00 4.3059e-02 8.4549e-04 2.1354e-04 4.4407e-05 4.1042e-05 -6.0000e+00 3.1540e-03 1.3753e-02 0.0000e+00 11 9 0 11 4 0 80.96 22.83 0.13 0.01375 0.01536 87 16 1 5 0 580.050 26.11 19.99 22.83 29.30 37.8 1091.14 -30813 77536 -43826 -6675 -10874 -23510 25575 -9110 -18359 -26788 -26031 -16922 -24381 31789 -3721 -11803 248 6014 10295 -5512 5426 -1662 -8741 -3688 -1629 14982 -2180 -3991 -8287 2550 3287 996 -4340 -921 7351 -1802 -4106 3217 1449 -2422 -635 -3245 -1926 -1664 1609 -1727 1645 -56 2045 283 719 -1715 1903 1703 458 1261 -318 1598 -287 1224 1869 1491 -717 964 -658 2257 427 1861 1182 224 155 -102 -781 88 -197 368 1384 283 -118 -723 -114 -1631 -780 -1334 -914 -819 -443 -400 -343 244 222 662 1465 1271 1158 468 419 -427 -507 -596 -535 -219 773 107 -945 -468 -853 -133 247 -102 -518 -43 -161 -112 437 876 970 519 -251 -849 -232 -129 77 -110 17 102 1390 614 109 604 145 398 198 348 -312 0 167 -313 -681 -234 -237 -26 155 -723 730 -1253 -130 -211 -529 407 -224 -537 -887 -911 -620 -1141 1063 -200 -760 15 381 663 -425 388 -130 -768 -333 -153 1250 -210 -382 -824 245 353 123 -606 -127 927 -254 -665 577 310 -606 -170 -932 -565 -493 470 -524 487 -17 629 93 253 -663 762 722 203 575 -149 734 -133 561 884 764 -404 566 -395 1288 242 1067 737 154 113 -77 -584 63 -133 231 821 170 -76 -521 -90 -1408 -706 -1269 -909 -849 -476 -436 -373 257 224 633 1348 1185 1145 505 492 -540 -670 -785 -678 -262 889 125 -1159 -596 -1126 -182 352 -154 -818 -69 -258 -175 653 1268 1405 773 -389 -1360 -374 -206 119 -169 26 148 1960 880 164 964 243 685 350 633 -589 1 332 -628 -1375 -465 -460 -50 288 SS 20240715T112501.1Z 8962.475708 92 1 50.28 2 71.90 77.00 156.41 346.12 0.00 1 0.00 1 0 33 7.766e-02 7.014e-03 1.507e-02 1.291e-03 4.443061e-01 6.861488e-04 5.158125e-03 -6.000000e+00 4.699218e-02 232.87 -2.00 3.51 -2.00 319.12 0.00e+00 1.325247e-03 1.726173e-04 1.821288e-04 -6.000000e+00 2.104927e-03 289.61 -2.00 20.00 -2.00 318.29 0.00e+00 3.175 0.001 302.00 328.00 3 2.5122e+00 1.9311e-03 3.9686e-02 -6.0000e+00 1.1783e-01 -7.4438e-03 2.2422e-03 2.3672e-02 -6.0000e+00 1.2706e-01 -2.1828e-02 1.6120e-03 1.1439e-02 -6.0000e+00 7.5698e-02 4.8952e-03 8.3834e-04 3.5341e-03 -6.0000e+00 3.1884e-02 1.0660e-03 8.5840e-06 3.9600e-05 3.9375e-05 -6.0000e+00 2.3368e-03 1.5778e-02 0.0000e+00 11 9 0 11 4 0 99.86 22.83 0.21 0.01578 0.01584 106 20 1 5 0 474.260 26.21 19.99 22.83 30.11 38.1 1096.06 -23947 57628 -33763 -466 -11912 -9657 11637 -3251 -18556 -20409 -13704 -13957 -12001 13997 -861 -6960 -27540 6191 8610 -4922 5407 1451 -4483 -3181 -2087 10519 -2269 -397 -5112 1117 2673 1714 -3392 470 5693 50 -1454 1388 619 -2357 -762 -2999 -1806 -1896 2161 -1899 1199 485 1751 1037 358 298 2766 1615 228 1399 109 1064 414 1130 2016 1023 242 189 -286 1730 652 1431 1133 -54 117 -66 -977 -2 -542 372 941 648 -411 -734 -398 -1519 -1062 -1268 -660 -950 -524 -511 -295 198 412 779 1564 1154 1032 346 630 -549 -874 -524 -674 -184 744 58 -1108 -387 -936 83 165 146 -445 -72 -73 -104 579 814 905 514 -57 -796 -273 -135 -25 50 -124 178 1156 898 174 611 -27 483 232 355 -203 -122 206 -419 -514 -185 -278 -215 116 -708 865 -1176 -11 -307 -251 275 -99 -705 -825 -552 -636 -636 695 -57 -534 -2751 483 696 -466 474 134 -462 -347 -239 1097 -263 -44 -590 129 340 247 -547 74 844 8 -265 290 152 -669 -231 -968 -595 -633 705 -644 398 164 598 373 138 124 1200 744 110 689 55 529 205 559 1029 565 145 119 -182 1050 390 868 741 -38 89 -51 -762 -1 -384 244 584 405 -276 -547 -325 -1345 -990 -1235 -669 -1010 -574 -570 -327 214 425 762 1466 1094 1034 378 745 -699 -1161 -693 -859 -221 860 69 -1371 -496 -1244 113 236 220 -701 -115 -116 -161 856 1167 1298 757 -87 -1265 -437 -214 -38 76 -184 256 1621 1273 260 961 -44 816 403 633 -375 -233 399 -825 -1016 -360 -530 -398 211 SS 20240715T113052.1Z 8962.479770 95 1 50.44 2 70.82 77.87 156.66 349.41 0.00 1 0.00 1 0 25 3.803e-02 6.119e-03 8.537e-03 9.842e-04 4.235246e-01 5.224471e-04 4.934969e-03 -6.000000e+00 2.301593e-02 232.87 -2.00 3.51 -2.00 318.79 0.00e+00 5.463228e-04 1.184553e-04 1.566749e-04 -6.000000e+00 1.030771e-03 289.61 -2.00 20.00 -2.00 317.94 0.00e+00 3.007 0.000 302.00 328.00 3 2.2168e+00 1.4498e-03 3.7654e-02 -6.0000e+00 5.7709e-02 -9.5153e-03 1.6656e-03 2.2453e-02 -6.0000e+00 6.2228e-02 -1.5982e-02 1.1475e-03 1.0828e-02 -6.0000e+00 3.7073e-02 1.8377e-03 5.9537e-04 3.0701e-03 -6.0000e+00 1.5620e-02 1.7294e-03 2.4964e-04 3.0219e-05 3.5529e-05 -6.0000e+00 1.1443e-03 1.4067e-02 0.0000e+00 11 1 0 11 4 0 73.16 22.83 0.19 0.01407 0.01594 140 26 1 5 0 360.180 26.21 20.01 22.83 30.62 38.0 1098.04 -15930 20233 -19505 -5024 -10590 -10371 6909 -2361 -5683 -12717 -5422 -10192 -5423 3858 -744 -5982 -5031 3617 3790 -2822 2130 2222 -2802 -641 -2207 4982 -1764 -1062 -3248 2374 1889 2140 -1200 -1014 4058 -560 -911 77 -21 -2211 -599 -2424 -1509 -1234 309 -1250 -50 -407 816 490 404 381 1414 1105 374 1347 -115 591 344 759 1807 1244 128 -98 -126 1065 580 1487 1180 234 -10 6 -439 -175 -139 419 829 976 -222 -540 -385 -1479 -1219 -1067 -535 -762 -292 -305 -399 70 541 414 1312 1198 1059 730 601 -467 -581 -615 -866 -50 537 -196 -975 -523 -920 -175 184 -11 -376 -245 -171 -6 701 911 955 570 -122 -760 -537 -103 -134 38 34 371 1338 914 361 625 62 300 83 253 -182 -140 187 -452 -528 -203 -182 -195 151 -577 560 -779 -166 -351 -355 223 -93 -250 -627 -262 -576 -345 266 -61 -568 -508 357 394 -322 238 253 -350 -84 -311 672 -250 -145 -448 326 289 364 -224 -192 718 -106 -194 19 -6 -724 -209 -893 -566 -468 117 -479 -19 -156 316 198 174 175 683 561 198 725 -63 323 186 413 1008 744 82 -67 -85 695 370 959 819 177 -8 5 -359 -138 -104 292 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