File name: Pandora55s1_QueensNY_20240705_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240706T051128.8Z 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_20240705_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: 20240705 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 20240705T111810.9Z 8952.470959 100 1 50.60 2 72.11 75.09 65.33 73.78 0.00 1 0.00 1 0 25 6.538e-02 6.639e-03 1.281e-02 1.230e-03 4.334514e-01 6.534042e-04 5.041232e-03 -6.000000e+00 3.957634e-02 232.89 -2.00 3.51 -2.00 319.06 0.00e+00 1.083810e-03 1.606468e-04 2.003087e-04 -6.000000e+00 1.765228e-03 288.70 -2.00 20.00 -2.00 318.24 0.00e+00 3.210 0.001 302.00 328.00 3 2.4105e+00 1.8319e-03 3.9600e-02 -6.0000e+00 9.9271e-02 -1.2113e-02 2.1206e-03 2.3119e-02 -6.0000e+00 1.0705e-01 -1.6716e-02 1.5145e-03 1.1146e-02 -6.0000e+00 6.3740e-02 2.7321e-03 7.8700e-04 3.3792e-03 -6.0000e+00 2.6836e-02 1.1644e-03 1.7609e-04 3.7787e-05 3.7997e-05 -6.0000e+00 1.9671e-03 1.2685e-02 0.0000e+00 11 9 0 11 12 0 97.27 22.82 0.23 0.01269 0.01401 117 22 1 5 0 432.390 26.11 19.98 22.82 30.22 37.8 1100.00 -28390 36637 -37039 -7002 -14921 -15151 10107 -2236 -11158 -20610 -17315 -13645 -9647 6448 -850 -8317 134 6770 6634 -4812 665 935 -5936 -1273 -4380 10150 -2921 -794 -5768 466 1868 1336 -2865 -490 5658 -1556 -1782 410 -253 -2247 150 -2770 -1725 -1458 1677 -1554 1057 441 1406 352 242 -298 2013 1323 368 1453 -34 814 467 1071 1892 1461 455 291 -54 1025 624 1529 1409 0 -203 -166 -569 -93 -406 493 1140 1006 -502 -476 -361 -1414 -1299 -1170 -786 -808 -415 -349 -206 -196 409 689 1504 1334 1039 513 466 -261 -598 -655 -756 -55 537 -174 -1058 -451 -939 -105 210 27 -438 -239 -82 -120 542 949 1011 466 -287 -808 -396 -166 -22 50 151 369 1290 882 198 562 176 458 250 283 -219 -50 346 -457 -592 -253 -321 -251 136 -937 713 -1423 -194 -422 -443 258 -72 -424 -894 -766 -657 -529 361 -59 -680 11 551 571 -475 64 91 -649 -143 -536 1116 -357 -92 -697 56 248 199 -476 -81 867 -261 -336 89 -64 -655 46 -917 -584 -498 565 -541 361 152 492 130 96 -127 892 621 180 727 -18 413 235 539 984 816 276 185 -34 633 377 935 926 0 -156 -130 -446 -71 -291 327 714 632 -339 -356 -296 -1257 -1216 -1143 -801 -861 -456 -390 -231 -214 424 677 1418 1265 1045 559 550 -331 -793 -866 -965 -66 623 -205 -1310 -579 -1248 -144 300 41 -689 -383 -130 -185 800 1357 1445 686 -440 -1281 -632 -262 -35 75 224 531 1805 1251 294 882 289 773 432 502 -404 -94 668 -895 -1166 -491 -610 -464 248 SS 20240705T120612.8Z 8952.504315 124 1 50.47 2 63.20 82.21 56.76 80.22 0.00 1 0.00 1 0 25 9.272e-03 5.946e-03 1.513e-03 4.903e-04 3.049557e-01 2.605099e-04 3.624508e-03 -6.000000e+00 5.613043e-03 232.89 -2.00 3.51 -2.00 317.26 0.00e+00 3.384422e-06 3.737094e-05 8.929559e-05 -6.000000e+00 2.503585e-04 288.70 -2.00 20.00 -2.00 316.41 0.00e+00 2.205 0.000 302.00 328.00 3 1.8364e+00 6.9374e-04 2.7388e-02 -6.0000e+00 1.4079e-02 -8.6475e-03 7.7650e-04 1.6054e-02 -6.0000e+00 1.5183e-02 -6.5610e-03 4.6079e-04 7.7420e-03 -6.0000e+00 9.0402e-03 -1.0386e-03 2.2259e-04 2.1079e-03 -6.0000e+00 3.8062e-03 6.4674e-03 3.8619e-04 1.5197e-05 2.6496e-05 -6.0000e+00 2.7898e-04 1.2555e-02 0.0000e+00 11 1 0 11 4 0 99.15 22.82 0.19 0.01256 0.01546 347 66 1 5 0 145.410 26.11 19.98 22.82 32.17 37.9 1100.00 -2593 -1727 -5220 -2193 -1448 -370 1386 641 -1341 -933 221 637 -402 1382 -720 -850 -219 1039 902 -525 1062 1192 412 218 -68 -113 -856 134 1038 1252 1676 1331 -1225 -723 208 -152 63 490 -695 -1484 -1079 -1263 -971 -862 -473 -1224 -660 -575 367 550 394 540 893 623 547 794 362 726 700 1351 1253 1276 499 -506 -60 271 584 1330 990 191 -94 -473 -501 -591 -73 254 633 1113 197 -77 -732 -1439 -1231 -1023 -922 -654 -408 -422 -498 -54 254 465 1277 1372 1243 820 707 -433 -514 -487 -628 -135 660 -70 -760 -355 -752 -181 30 -55 -380 -285 -134 -57 553 779 816 642 -44 -650 -395 -274 -316 111 75 421 1331 1008 454 545 52 297 165 255 -263 -116 167 -456 -428 -228 -260 -269 127 -292 -203 -622 -235 -144 -37 151 79 -181 -129 31 97 -66 257 -154 -196 -49 242 219 -133 269 305 111 62 -20 -35 -258 38 282 346 499 435 -408 -239 70 -53 23 200 -340 -783 -614 -713 -559 -499 -273 -708 -374 -321 214 312 239 351 583 427 388 576 267 530 505 973 898 986 401 -430 -50 222 451 1025 794 165 -88 -440 -482 -545 -65 213 487 875 159 -66 -684 -1427 -1251 -1099 -1016 -767 -484 -514 -604 -63 284 495 1308 1386 1335 939 834 -547 -686 -644 -782 -160 775 -85 -956 -455 -1017 -246 42 -82 -576 -439 -200 -82 765 1054 1096 868 -63 -968 -582 -414 -463 161 104 575 1730 1317 632 786 77 455 252 405 -429 -192 286 -778 -734 -396 -435 -447 206 SS 20240705T121134.8Z 8952.508042 127 1 50.49 2 62.19 83.02 55.79 80.96 0.00 1 0.00 1 0 25 8.741e-03 6.074e-03 1.132e-03 4.056e-04 2.953670e-01 2.159491e-04 3.514218e-03 -6.000000e+00 5.291096e-03 232.89 -2.00 3.51 -2.00 317.02 0.00e+00 -9.130495e-05 2.931576e-05 8.427407e-05 -6.000000e+00 2.360019e-04 288.70 -2.00 20.00 -2.00 316.18 0.00e+00 2.132 0.000 302.00 328.00 3 1.5653e+00 5.7298e-04 2.6485e-02 -6.0000e+00 1.3272e-02 -9.1186e-03 6.3994e-04 1.5516e-02 -6.0000e+00 1.4312e-02 -6.4475e-03 3.7568e-04 7.4795e-03 -6.0000e+00 8.5217e-03 -9.9188e-04 1.7959e-04 2.0286e-03 -6.0000e+00 3.5879e-03 9.2423e-03 3.6072e-04 1.2543e-05 2.5803e-05 -6.0000e+00 2.6298e-04 1.2650e-02 0.0000e+00 11 1 0 11 4 0 99.82 22.81 0.22 0.01265 0.01536 420 79 1 5 0 120.190 26.11 20.01 22.81 32.68 37.9 1100.00 -2241 -2557 -4215 -2056 -1036 -402 954 416 -1141 -472 26 1078 -143 1225 -331 -480 576 442 484 -529 795 1150 592 233 309 -357 -492 202 1056 1412 1435 1281 -1289 -783 196 -50 85 271 -902 -1299 -1020 -1307 -1018 -885 -571 -1057 -750 -777 410 640 540 607 758 603 560 799 358 702 791 1330 1176 1251 451 -577 -38 279 545 1451 1049 237 -81 -610 -461 -729 -123 224 574 1227 223 4 -777 -1394 -1269 -991 -943 -574 -399 -340 -560 -53 356 455 1311 1434 1300 747 759 -400 -516 -450 -594 -111 704 25 -889 -373 -795 -159 -103 -95 -327 -256 -198 -107 488 832 834 573 -63 -620 -439 -312 -295 139 175 379 1368 983 451 559 14 305 140 299 -253 -164 181 -399 -405 -230 -295 -273 111 -275 -330 -541 -259 -121 -47 122 56 -167 -70 4 175 -27 262 -75 -117 146 117 134 -152 228 333 179 70 98 -116 -156 65 322 436 446 435 -476 -286 68 -18 34 122 -457 -707 -598 -802 -637 -527 -358 -662 -461 -470 244 391 333 401 531 421 404 589 268 520 579 972 898 980 385 -497 -32 230 424 1123 884 215 -76 -595 -445 -677 -110 189 466 966 180 3 -725 -1377 -1339 -1060 -1076 -670 -472 -413 -677 -64 413 483 1335 1438 1384 847 920 -519 -680 -587 -756 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