File name: Pandora55s1_QueensNY_20240718_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T142142.8Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240718_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: 20240718 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 20240718T112150.7Z 8965.473504 131 1 50.61 2 72.84 76.91 142.75 276.45 0.00 1 0.00 1 0 25 1.341e-01 7.830e-03 2.641e-02 1.562e-03 4.593286e-01 8.292646e-04 5.362278e-03 -6.000000e+00 8.104038e-02 232.76 -2.00 3.51 -2.00 319.33 0.00e+00 1.430996e-03 2.236566e-04 2.283634e-04 -6.000000e+00 3.624849e-03 289.68 -2.00 20.00 -2.00 318.51 0.00e+00 3.339 0.001 302.00 328.00 3 2.7692e+00 2.3589e-03 4.1519e-02 -6.0000e+00 2.0314e-01 8.3741e-03 2.7648e-03 2.4606e-02 -6.0000e+00 2.1901e-01 -1.1942e-02 2.0492e-03 1.1876e-02 -6.0000e+00 1.3061e-01 -7.4244e-04 1.0642e-03 3.6267e-03 -6.0000e+00 5.4723e-02 6.7894e-04 -7.5638e-04 4.7680e-05 4.1020e-05 -6.0000e+00 4.0086e-03 3.9706e-03 0.0000e+00 11 8 0 10 0 0 97.96 22.81 0.20 0.00397 -0.00171 97 18 1 5 0 521.610 26.11 19.99 22.81 30.41 37.9 1094.80 -23096 -53225 103448 -54746 -7404 -735 -25498 49478 377 -6623 -34374 -7851 -27545 -1615 11525 584 -15592 -27134 17248 7618 -6754 1404 7638 -9635 -1070 -5982 15340 -8074 -2800 -8552 1566 5713 528 197 -3064 11069 -2735 -1427 1430 2112 -3363 -597 -3197 -1999 -560 2035 -734 1066 2004 1688 1721 539 -139 2546 2469 1454 1377 493 937 855 774 2581 1281 -517 226 -539 1969 -100 1475 1149 528 -217 135 -1333 376 -703 725 610 1188 -342 -845 177 -1942 -1214 -1277 -581 -1259 -509 -1083 -269 -256 109 644 1476 1498 871 582 605 -95 -606 -550 -782 19 879 80 -1038 -693 -669 -75 298 -105 -416 -140 92 93 517 940 974 516 -199 -887 -696 148 40 26 63 279 1306 860 184 509 309 351 357 168 -414 -69 36 -431 -510 -363 -286 -34 308 -477 -1671 828 -1882 -157 -14 -632 685 9 -186 -1306 -249 -1189 -66 495 32 -1100 -2297 1040 531 -557 110 576 -896 -99 -611 1328 -853 -275 -886 158 622 68 27 -444 1386 -401 -232 268 462 -871 -163 -940 -601 -169 607 -225 325 612 531 568 193 -54 1032 1056 652 636 232 439 397 361 1235 666 -296 135 -328 1138 -58 857 722 366 -160 102 -1010 271 -481 456 364 711 -222 -612 140 -1693 -1111 -1226 -581 -1325 -552 -1200 -296 -274 111 620 1362 1394 866 631 712 -121 -806 -730 -998 22 1011 94 -1281 -888 -886 -103 428 -159 -662 -226 148 146 773 1359 1408 768 -309 -1425 -1128 236 62 40 94 404 1838 1230 276 811 517 604 629 305 -783 -135 72 -867 -1030 -722 -555 -64 570 SS 20240718T112709.8Z 8965.477196 135 1 50.35 2 71.86 77.71 143.71 277.43 0.00 1 0.00 1 0 25 6.026e-02 6.872e-03 1.309e-02 1.255e-03 4.363300e-01 6.645542e-04 5.117757e-03 -6.000000e+00 3.640502e-02 232.76 -2.00 3.51 -2.00 318.96 0.00e+00 7.731859e-04 1.590893e-04 2.675911e-04 -6.000000e+00 1.628381e-03 289.68 -2.00 20.00 -2.00 318.12 0.00e+00 3.169 0.001 302.00 328.00 3 2.6063e+00 1.8566e-03 3.9407e-02 -6.0000e+00 9.1254e-02 6.8753e-03 2.1456e-03 2.3313e-02 -6.0000e+00 9.8383e-02 -7.9956e-03 1.5145e-03 1.1200e-02 -6.0000e+00 5.8675e-02 -3.3356e-03 7.8722e-04 3.1929e-03 -6.0000e+00 2.4582e-02 9.6941e-04 -6.8951e-04 3.8340e-05 3.7097e-05 -6.0000e+00 1.8008e-03 4.0733e-03 0.0000e+00 11 8 0 10 0 0 99.87 22.81 0.20 0.00407 -0.00111 96 18 1 5 0 524.360 26.11 19.98 22.81 30.68 38.0 1096.26 -24332 -24763 26140 -31833 -12117 -1832 -15013 12725 -6369 -8836 -18664 -10417 -11841 -6301 11580 -4591 -8101 12912 8807 2362 -4286 -73 3250 -6253 -2236 -2066 8067 -2163 -2777 -4564 -65 2167 621 -3372 -1901 4752 -1531 -1587 750 461 -2345 -1181 -2952 -1967 -1093 856 -1250 301 -171 1426 912 340 -385 2561 1818 753 1701 653 944 100 1593 1937 1375 -106 306 -553 1212 282 1342 1182 -10 -241 -239 -657 -44 -319 382 1199 820 -81 -362 -49 -1645 -1042 -1254 -849 -1147 -446 -562 -361 -61 238 842 1432 1359 1175 653 649 -358 -817 -521 -661 76 923 -82 -946 -509 -1040 -80 244 -16 -500 -132 -119 1 496 912 888 677 -292 -850 -305 -128 -154 -84 147 120 1403 857 209 656 325 427 179 262 -302 -118 50 -349 -650 -240 -203 -94 179 -696 -816 578 -1203 -362 -48 -456 332 -223 -343 -827 -453 -588 -351 651 -344 -690 977 736 221 -441 -7 326 -719 -265 -259 947 -276 -344 -572 -8 301 98 -589 -332 768 -269 -313 171 122 -717 -386 -1022 -696 -389 303 -451 108 -62 519 349 140 -171 1173 880 381 880 345 495 52 828 1038 793 -67 200 -367 768 176 844 802 -8 -190 -193 -529 -34 -234 260 773 530 -56 -277 -41 -1496 -993 -1244 -879 -1244 -498 -638 -408 -67 251 838 1370 1309 1197 719 774 -460 -1093 -693 -847 92 1078 -98 -1177 -656 -1389 -111 350 -23 -787 -211 -189 1 734 1308 1273 993 -448 -1345 -486 -202 -238 -128 217 172 1956 1213 311 1025 531 717 308 464 -554 -224 96 -679 -1272 -463 -383 -172 323 SS 20240718T120915.7Z 8965.506432 157 1 50.48 2 63.99 84.08 151.13 286.40 0.00 1 0.00 1 0 25 2.071e-02 6.818e-03 7.455e-03 1.421e-03 3.165845e-01 7.483773e-04 3.766075e-03 -6.000000e+00 1.251573e-02 232.76 -2.00 3.51 -2.00 318.26 0.00e+00 3.506116e-04 1.417809e-04 2.361516e-04 -6.000000e+00 5.596598e-04 289.68 -2.00 20.00 -2.00 317.38 0.00e+00 2.267 0.000 302.00 328.00 3 3.5552e+00 2.0381e-03 2.8338e-02 -6.0000e+00 3.1373e-02 -6.5592e-03 2.3119e-03 1.6878e-02 -6.0000e+00 3.3820e-02 1.7382e-02 1.4599e-03 8.1022e-03 -6.0000e+00 2.0170e-02 -1.2163e-02 7.3764e-04 2.2627e-03 -6.0000e+00 8.4540e-03 1.0523e-03 -2.7684e-04 4.4691e-05 2.7314e-05 -6.0000e+00 6.1881e-04 1.6938e-03 0.0000e+00 11 8 0 10 0 0 100.00 22.81 0.14 0.00169 -0.00039 303 57 1 5 0 166.550 26.11 20.00 22.81 30.93 38.1 1098.03 -4877 -173 8663 -7205 192 -67 2527 10776 4418 -3056 -2445 -3573 866 -1879 5675 -1158 -1348 -8797 4163 2611 -2106 826 814 -1147 -391 121 2286 167 -380 -995 1676 2806 2300 -2783 -565 2464 589 -594 1453 -663 -2228 -988 -2324 -2137 -1683 108 -1860 -59 -972 1240 185 654 -164 1592 1349 442 1129 92 1112 570 1486 1570 1545 -446 -158 -659 902 443 1266 1366 42 97 -376 -709 -318 112 441 1514 1185 488 -176 -434 -1374 -1041 -963 -1151 -608 -611 -660 -649 34 289 809 1466 1700 1712 682 661 -436 -353 -595 -677 111 924 447 -788 -489 -1030 -51 20 -6 -681 -202 -232 -265 506 816 874 464 36 -986 -384 -148 -90 -4 110 37 1173 1047 378 730 142 513 150 395 -393 -87 117 -305 -569 -191 -170 -123 66 -287 -11 533 -503 12 -4 147 637 308 -244 -200 -303 77 -195 633 -154 -193 -1413 622 414 -359 139 139 -208 -75 24 454 33 -73 -186 315 563 505 -674 -135 555 138 -157 442 -239 -906 -427 -1056 -993 -783 50 -866 -27 -443 555 86 320 -86 870 769 261 682 56 676 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