File name: Pandora55s1_QueensNY_20250205_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250206T051416.3Z 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 v1.8.70 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250205_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: 20250205 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 20250205T151114.0Z 9167.632801 169 1 8.22 2 62.75 147.76 95.51 55.74 0.00 1 0.00 1 0 25 1.978e-02 7.272e-03 8.683e-03 3.152e-03 2.941842e-01 1.622643e-03 3.590302e-03 -6.000000e+00 1.158671e-02 224.53 -2.00 3.51 -2.00 316.89 0.00e+00 1.631594e-04 2.101496e-04 1.173757e-04 -6.000000e+00 5.035003e-04 275.27 -2.00 20.00 -2.00 316.31 0.00e+00 2.172 0.000 302.00 328.00 3 3.7779e+00 4.2214e-03 2.6235e-02 -6.0000e+00 2.8619e-02 3.5218e-02 4.7335e-03 1.4951e-02 -6.0000e+00 3.1121e-02 -6.4345e-03 2.8062e-03 7.4336e-03 -6.0000e+00 1.8521e-02 -6.2539e-04 1.3491e-03 2.1310e-03 -6.0000e+00 7.7784e-03 9.6355e-04 -5.1896e-04 9.6690e-05 2.7938e-05 -6.0000e+00 5.8950e-04 4.2413e-03 0.0000e+00 12 9 1 12 1 1 99.78 22.66 0.21 0.00424 0.00034 5 7 1 5 0 1367.760 26.00 19.98 22.66 4.52 35.5 1028.71 -7767 -5680 7730 -6451 1957 -179 -1416 7279 -6789 -1350 -4924 -2454 -3151 -1346 5013 31 -3705 -2096 4778 3754 -1656 2442 689 -1621 -32 -428 4472 -184 -117 -1544 1147 834 1025 -2307 -1303 2440 -894 -268 1099 849 -1493 -199 -2290 -1440 -311 133 -705 -632 -148 939 -16 622 773 1522 590 1156 1598 1340 1283 342 578 1491 209 -470 -385 -636 631 -922 1245 1103 136 30 -376 -369 -826 -891 -383 1160 938 -167 -139 127 -1466 -1397 -1267 -1179 -971 -399 -389 -401 60 -195 653 988 1970 1234 363 647 -317 -326 -406 -339 -190 1031 5 -994 -332 -117 67 105 218 -572 -168 -81 -279 635 571 742 576 -402 -732 -287 -90 -131 54 311 399 1226 708 416 322 462 348 30 389 -384 -226 0 -585 -369 -208 -304 -267 299 -986 -783 986 -913 240 -21 -172 892 -1040 -210 -808 -404 -562 -265 1056 7 -982 -569 1273 1042 -491 707 204 -504 -10 -144 1466 -61 -37 -485 358 278 366 -879 -492 872 -334 -109 501 438 -852 -118 -1428 -907 -195 84 -441 -391 -90 569 -10 402 523 1063 428 855 1197 1012 965 257 434 1145 170 -403 -340 -557 526 -750 1002 939 124 28 -368 -360 -786 -809 -326 930 743 -138 -124 121 -1495 -1481 -1387 -1339 -1145 -484 -479 -491 72 -224 708 1027 2021 1320 413 782 -407 -431 -534 -430 -230 1213 6 -1248 -430 -156 91 148 318 -861 -254 -120 -402 873 760 985 783 -568 -1070 -424 -133 -190 76 428 536 1599 929 564 454 672 517 45 599 -610 -369 1 -983 -623 -348 -499 -429 474 SS 20250205T151601.4Z 9167.636128 172 1 3.25 2 62.27 148.94 94.78 56.52 0.00 1 0.00 1 0 25 1.288e-02 7.163e-03 8.112e-03 3.166e-03 2.917222e-01 1.632072e-03 3.560790e-03 -6.000000e+00 7.548071e-03 224.53 -2.00 3.51 -2.00 316.75 0.00e+00 -4.367780e-05 2.030413e-04 6.667782e-05 -6.000000e+00 3.279463e-04 275.27 -2.00 20.00 -2.00 316.17 0.00e+00 2.138 0.000 302.00 328.00 3 2.9345e+00 4.2372e-03 2.5881e-02 -6.0000e+00 1.8644e-02 2.9080e-02 4.7472e-03 1.4798e-02 -6.0000e+00 2.0272e-02 -7.8501e-03 2.7946e-03 7.3625e-03 -6.0000e+00 1.2065e-02 -1.2344e-03 1.3307e-03 2.1000e-03 -6.0000e+00 5.0680e-03 2.3347e-03 -3.7387e-04 9.7041e-05 2.7806e-05 -6.0000e+00 3.8393e-04 2.9848e-03 0.0000e+00 12 9 1 12 1 1 98.30 22.66 0.14 0.00298 0.00018 5 18 1 5 0 540.100 26.00 19.98 22.66 4.71 35.5 1029.07 -2075 -4135 -54 -7628 -1832 -2998 -2358 4318 -2556 -1321 -2749 -1054 -2500 1054 353 921 -1445 -544 1185 -399 -451 2095 1912 -195 168 698 227 -625 -1072 602 1188 1571 2524 -545 -1126 833 334 128 -289 -145 -1018 -285 -1665 -528 -328 62 -914 -683 -418 -47 383 377 883 1743 1375 469 584 800 234 1074 994 1220 1497 404 -663 -528 419 492 465 744 346 -304 -552 -647 73 204 397 426 1277 -197 -458 -271 -1483 -1832 -1342 -997 -1443 -466 -361 -719 -568 -79 3 1203 1622 1960 441 647 108 -703 -480 -389 331 701 77 -638 -243 -1020 -60 396 -101 -354 -423 -291 -191 225 1389 1064 927 -352 -617 -278 -7 -471 71 303 831 1411 763 458 655 432 310 223 229 -432 -355 94 -696 -611 -346 -23 -191 16 -274 -613 -8 -1187 -253 -397 -316 592 -411 -223 -481 -185 -479 219 83 236 -399 -155 344 -121 -140 644 593 -63 57 245 81 -220 -364 196 391 547 930 -214 -443 315 129 54 -138 -77 -596 -175 -1058 -338 -210 40 -586 -433 -262 -29 243 248 608 1237 1010 352 447 615 180 814 757 952 1221 348 -590 -466 353 401 381 639 317 -294 -544 -635 69 185 339 346 1022 -165 -412 -261 -1516 -1948 -1471 -1132 -1707 -565 -443 -881 -680 -91 4 1251 1672 2087 501 781 137 -927 -628 -492 400 825 92 -797 -313 -1357 -81 554 -146 -529 -638 -432 -273 308 1835 1403 1250 -495 -896 -408 -10 -680 100 416 1109 1834 997 618 920 626 457 333 350 -683 -577 155 -1164 -1025 -574 -37 -304 25 SS 20250205T152037.8Z 9167.639326 175 1 13.56 2 61.83 150.09 94.06 57.26 0.00 1 0.00 1 0 25 1.250e-02 6.720e-03 4.482e-03 1.761e-03 2.829208e-01 9.074482e-04 3.454791e-03 -6.000000e+00 7.326294e-03 224.53 -2.00 3.51 -2.00 316.72 0.00e+00 4.197706e-05 1.123771e-04 8.202526e-05 -6.000000e+00 3.183117e-04 275.27 -2.00 20.00 -2.00 316.14 0.00e+00 2.108 0.000 302.00 328.00 3 3.3407e+00 2.3549e-03 2.5373e-02 -6.0000e+00 1.8096e-02 2.5742e-02 2.6384e-03 1.4360e-02 -6.0000e+00 1.9677e-02 6.4145e-05 1.5525e-03 7.1403e-03 -6.0000e+00 1.1710e-02 -3.9073e-03 7.3824e-04 2.0394e-03 -6.0000e+00 4.9191e-03 1.6232e-03 -2.7432e-04 5.3825e-05 2.7011e-05 -6.0000e+00 3.7265e-04 3.0120e-03 0.0000e+00 12 9 1 12 1 1 99.96 22.65 0.23 0.00301 0.00095 17 13 1 5 0 752.740 26.00 20.04 22.65 4.81 35.5 1028.76 -3361 -4517 1659 -6839 -1675 13 -766 3498 -3423 -752 -2986 -452 -1511 443 1225 -907 -1444 409 2517 655 -743 562 1787 -717 1068 -297 1979 -1132 43 330 1038 2571 888 -1539 -804 1588 -216 -562 1020 -344 -2024 -670 -1055 -1247 -848 -265 -1247 -245 -330 447 398 371 679 1292 1029 1143 732 586 975 983 1125 2066 1217 380 -541 -451 86 110 1275 622 -284 -381 -458 -563 -132 -279 291 263 1065 -108 -475 -257 -1486 -1083 -1226 -919 -1112 -723 -509 -530 -149 247 550 1111 1351 1037 784 826 -285 -634 -460 -424 -182 994 4 -703 -408 -727 -206 516 -160 -326 -268 -25 -69 385 785 914 691 -241 -727 -473 -185 -94 77 -44 535 1436 994 667 665 40 405 9 139 -224 164 229 -570 -558 -359 -257 -226 -95 -454 -682 247 -1069 -234 2 -102 489 -560 -128 -528 -80 -290 93 287 -237 -402 116 728 198 -232 176 558 -235 362 -106 702 -401 15 108 343 890 333 -610 -316 598 -84 -239 484 -186 -1201 -414 -672 -808 -549 -171 -806 -156 -208 279 254 246 470 923 760 859 563 453 749 749 860 1610 1001 330 -484 -400 73 90 1039 536 -263 -370 -452 -554 -126 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