File name: Pandora55s1_QueensNY_20241221_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241222T050301.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241221_L1_smca1c18d20230426p1-8.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: 20241221 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20241221T143351.1Z 9121.606842 346 1 50.48 2 71.93 146.43 69.63 260.50 0.00 1 0.00 1 0 25 6.154e-02 6.149e-03 1.240e-02 7.206e-04 5.143098e-01 3.721307e-04 6.097478e-03 -6.000000e+00 3.585299e-02 223.02 -2.00 3.51 -2.00 319.50 0.00e+00 9.239643e-04 1.056839e-04 6.738108e-04 -6.000000e+00 1.576349e-03 276.80 -2.00 20.00 -2.00 318.93 0.00e+00 3.181 0.001 302.00 328.00 3 1.3870e+00 1.0405e-03 4.1223e-02 -6.0000e+00 8.8215e-02 1.3357e-02 1.2291e-03 2.6681e-02 -6.0000e+00 9.5995e-02 5.1497e-03 1.0229e-03 1.3321e-02 -6.0000e+00 5.7246e-02 -1.0360e-02 5.3848e-04 4.0367e-03 -6.0000e+00 2.4155e-02 2.9456e-03 -7.7783e-04 2.1495e-05 4.9029e-05 -6.0000e+00 1.8334e-03 3.2465e-03 0.0000e+00 10 0 0 10 0 0 99.98 14.30 0.17 0.00325 -0.00260 572 108 1 5 0 88.230 25.90 19.98 14.30 4.10 35.7 942.12 -30702 -19211 -13550 -25363 -23933 -16718 -22431 -4861 -11194 -19794 -19681 -16045 -13498 -9916 1682 -3976 -3407 6338 4525 1290 -3582 -161 -1481 -3035 -1507 -2437 412 -2594 -3623 -2957 -4 744 323 -1235 -1590 26 -1114 -2177 644 -716 -1922 -1271 -1577 -1014 -748 405 -890 85 -217 1007 761 773 717 1404 993 757 700 -57 487 480 1058 1539 1527 527 129 124 771 416 1412 1072 124 -107 -730 -553 -652 -35 460 1002 1311 30 135 -323 -1257 -1197 -1241 -1283 -930 -598 -394 -504 165 629 825 1734 1691 1351 904 840 -356 -439 -435 -436 59 774 -206 -1056 -571 -911 -67 -127 -135 -401 -161 -39 69 776 930 816 436 -388 -914 -503 -360 -343 -8 -26 358 1404 1001 267 491 104 409 189 235 -406 -191 124 -472 -514 -173 -48 8 324 -486 -322 -234 -455 -437 -272 -401 -82 -230 -446 -471 -401 -383 -334 62 -184 -178 330 239 75 -227 -10 -96 -213 -113 -198 34 -216 -297 -243 0 73 37 -156 -206 3 -146 -304 105 -143 -448 -324 -399 -264 -198 107 -242 23 -60 287 232 258 263 555 394 316 303 -25 212 205 451 684 745 288 72 71 422 237 824 653 86 -76 -536 -398 -471 -23 273 591 780 19 97 -253 -1052 -1083 -1194 -1250 -959 -644 -433 -549 172 640 780 1551 1544 1355 980 985 -449 -590 -582 -547 71 905 -245 -1285 -733 -1180 -92 -179 -207 -641 -266 -63 108 1184 1352 1184 658 -598 -1473 -813 -567 -543 -13 -38 522 1959 1433 401 777 179 709 343 430 -792 -376 251 -974 -1060 -347 -94 15 588 SS 20241221T144719.9Z 9121.616203 355 1 37.25 2 70.57 149.36 72.13 262.73 0.00 1 0.00 1 0 25 8.474e-02 7.447e-03 1.612e-02 1.346e-03 4.812106e-01 6.896846e-04 5.725450e-03 -6.000000e+00 4.937362e-02 223.02 -2.00 3.51 -2.00 318.89 0.00e+00 7.942666e-04 1.621034e-04 3.737195e-04 -6.000000e+00 2.170762e-03 276.80 -2.00 20.00 -2.00 318.31 0.00e+00 2.972 0.000 302.00 328.00 3 2.6793e+00 1.8777e-03 3.8386e-02 -6.0000e+00 1.2148e-01 3.3006e-02 2.1665e-03 2.4553e-02 -6.0000e+00 1.3219e-01 -1.1589e-02 1.6239e-03 1.2274e-02 -6.0000e+00 7.8833e-02 -6.6609e-04 8.6110e-04 3.6670e-03 -6.0000e+00 3.3265e-02 1.0192e-03 -6.4216e-04 3.9972e-05 4.4327e-05 -6.0000e+00 2.5247e-03 3.1012e-03 0.0000e+00 12 9 1 12 5 1 99.92 14.23 0.19 0.00310 -0.00172 56 15 1 5 0 653.430 25.90 19.98 14.23 4.15 35.6 941.51 -28635 -33175 43951 -31779 -18347 3548 -24566 32182 -19712 -2156 -28396 -9057 -18178 -3455 14978 -3966 -6019 -23929 11586 3899 -2413 355 4942 -7851 -280 -2413 8916 -3666 -3615 -4638 2012 2494 482 -1132 -2149 6127 -993 -1659 937 1138 -2798 -697 -2182 -1373 -630 1089 -736 247 373 1422 887 875 202 2103 2234 1177 1097 651 597 607 242 2123 1348 332 258 -425 1133 201 1480 1111 58 -163 -137 -744 -105 -328 224 1252 699 -18 -543 -185 -1838 -1309 -1580 -981 -1214 -466 -692 -589 56 210 848 1343 1524 1208 830 567 -416 -605 -362 -555 53 902 -16 -923 -682 -882 -111 237 0 -458 -200 -13 179 495 841 891 461 -357 -916 -483 -245 -123 80 158 409 1570 916 337 567 209 317 305 304 -299 -186 168 -499 -556 -207 -265 -97 54 -739 -1037 726 -1055 -513 77 -719 620 -689 -70 -1229 -351 -873 -174 761 -279 -480 -2422 908 346 -234 34 466 -875 -31 -294 1004 -457 -439 -570 248 344 76 -195 -379 989 -176 -329 213 301 -860 -227 -754 -484 -223 385 -264 89 136 525 345 364 91 988 1102 605 580 348 319 319 128 1145 782 208 171 -286 734 129 960 773 44 -131 -112 -606 -82 -243 155 819 463 -12 -425 -158 -1702 -1269 -1598 -1027 -1325 -522 -787 -667 61 221 848 1300 1488 1251 928 687 -541 -817 -487 -718 64 1059 -19 -1148 -878 -1171 -152 338 -1 -721 -322 -20 276 739 1215 1287 681 -548 -1446 -765 -383 -189 120 231 583 2176 1290 498 885 342 533 525 536 -546 -350 321 -963 -1074 -395 -491 -175 96 SS 20241221T150554.9Z 9121.629108 361 1 1.47 2 68.89 153.54 75.60 265.73 0.00 1 0.00 1 0 25 7.148e-02 1.035e-02 5.251e-02 6.219e-03 4.432250e-01 3.181592e-03 5.347053e-03 -6.000000e+00 4.165629e-02 223.02 -2.00 3.51 -2.00 318.48 0.00e+00 1.074856e-03 6.537399e-04 3.488664e-04 -6.000000e+00 1.831107e-03 276.80 -2.00 20.00 -2.00 317.88 0.00e+00 2.750 0.000 302.00 328.00 3 2.4183e+00 8.5416e-03 3.5476e-02 -6.0000e+00 1.0250e-01 2.1645e-02 9.7457e-03 2.2660e-02 -6.0000e+00 1.1152e-01 -1.1259e-02 6.7943e-03 1.1285e-02 -6.0000e+00 6.6507e-02 -9.1478e-04 3.5773e-03 3.3960e-03 -6.0000e+00 2.8071e-02 1.7275e-03 -9.4754e-04 1.8618e-04 4.1519e-05 -6.0000e+00 2.1295e-03 1.5165e-03 0.0000e+00 12 9 9 12 5 1 999.00 14.10 0.10 0.00152 -0.00560 2 20 1 5 0 482.960 25.90 19.98 14.10 4.52 35.7 944.23 -12233 -18372 28427 -27098 11855 -30270 39271 -19879 16504 -16433 -11496 -13529 -5242 3776 -3839 1000 -14825 3689 -3081 10874 -10210 -4344 -4619 -2160 -3498 -4599 1501 -8930 4472 -6616 11609 -1201 2125 1293 3461 2421 2487 -3358 -502 3477 -969 316 -2367 4175 -879 2734 -2820 498 1492 3251 2557 -1357 3719 -1117 1543 -929 3883 -1885 1590 -2177 1023 1438 1504 -50 -837 -65 -1763 951 880 1817 -490 771 -32 -822 -467 162 1406 147 2399 -139 340 -1003 -1055 -1783 -1898 -663 -1354 -557 -1367 -35 -1066 699 441 2061 853 2073 332 534 -1034 -1188 -586 271 221 1326 217 -792 37 -1488 -459 219 888 -256 535 914 -1057 702 632 1254 38 -356 -956 -389 -254 -814 -325 -261 472 2522 798 -362 1325 -403 157 724 647 -187 -226 -401 -817 -371 96 122 -438 91 -418 -764 827 -1312 380 -1357 959 -917 613 -892 -623 -791 -321 252 -324 93 -1754 398 -375 1224 -1430 -589 -636 -305 -534 -747 237 -1524 662 -1071 1695 -217 415 273 727 501 527 -828 -140 1084 -349 121 -961 1657 -366 1119 -1207 209 624 1369 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