File name: Pandora55s1_QueensNY_20230617_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114550.0Z 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_20230617_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: 20230617 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 20230617T130433.1Z 8568.544828 150 1 7.89 2 51.07 91.29 43.55 93.36 0.00 1 0.00 1 0 17 1.777e-02 7.988e-03 8.572e-03 3.715e-03 2.630728e-01 1.975436e-03 3.168192e-03 -6.000000e+00 1.073639e-02 232.91 -2.00 3.51 -2.00 316.49 0.00e+00 2.010692e-04 2.339562e-04 9.165661e-05 -6.000000e+00 4.747097e-04 286.91 -2.00 20.00 -2.00 315.71 0.00e+00 1.588 0.000 302.00 328.00 3 4.4813e+00 5.1966e-03 2.1246e-02 -6.0000e+00 2.6948e-02 -1.7341e-03 5.7857e-03 1.3825e-02 -6.0000e+00 2.9071e-02 2.8090e-03 3.3398e-03 6.6981e-03 -6.0000e+00 1.7305e-02 -1.9830e-03 1.5414e-03 1.8286e-03 -6.0000e+00 7.2211e-03 8.7281e-04 -1.1858e-03 1.1422e-04 2.4321e-05 -6.0000e+00 5.3125e-04 8.5837e-03 0.0000e+00 12 9 1 12 1 1 96.02 22.66 0.32 0.00858 -0.00033 3 5 1 5 0 1922.320 26.00 20.02 22.66 26.67 35.1 1087.47 -7787 -4528 2434 -7016 -1229 4180 563 7978 1209 -2746 -4040 2430 540 -1763 2742 -3679 -1675 99 3863 2178 3188 -110 1670 -587 -779 -690 1624 -124 -3064 2036 994 580 3514 -2579 -1102 1782 -1118 -1011 433 801 -937 -1479 -1485 -1600 -1108 817 -1454 707 -1415 865 -1131 991 -1281 2889 931 531 1250 262 1772 655 1987 1595 1806 -403 104 -1049 98 6 1102 892 -278 -494 -263 -626 0 -24 -235 1224 762 -329 -1003 -399 -922 -1101 -1497 -764 -764 -619 -30 -618 -489 -401 615 1449 1261 1405 762 294 -526 -478 -330 -392 -327 1490 -179 -427 -67 -742 -206 111 88 -560 139 -204 -230 209 984 838 390 -205 -1085 -288 66 37 76 16 50 1356 934 339 579 207 638 207 467 -88 314 -304 -227 -673 -328 -674 -141 51 -1264 -788 413 -1264 -197 602 85 1224 217 -539 -815 472 113 -420 704 -1083 -511 31 1207 710 1056 -38 569 -209 -291 -267 622 -47 -1143 707 351 217 1369 -1087 -459 707 -460 -453 217 450 -578 -964 -993 -1088 -752 548 -984 465 -933 559 -753 676 -925 2105 708 412 983 208 1392 514 1553 1282 1522 -360 95 -954 85 5 911 778 -261 -486 -263 -626 0 -23 -205 1007 618 -278 -913 -387 -947 -1175 -1654 -873 -907 -758 -37 -766 -593 -466 674 1511 1303 1500 863 355 -672 -628 -429 -494 -394 1739 -215 -532 -86 -985 -281 155 127 -832 208 -299 -326 283 1283 1091 521 -284 -1562 -419 96 53 106 22 66 1738 1201 451 798 294 920 302 696 -136 497 -490 -371 -1105 -533 -1079 -221 78 SS 20230617T130959.4Z 8568.548604 153 1 50.53 2 50.04 92.20 42.54 94.28 0.00 1 0.00 1 0 17 1.958e-02 7.600e-03 3.391e-03 1.410e-03 2.598725e-01 7.489299e-04 3.102438e-03 -6.000000e+00 1.183732e-02 232.91 -2.00 3.51 -2.00 316.60 0.00e+00 -2.999015e-04 9.121880e-05 5.308960e-05 -6.000000e+00 5.231276e-04 286.91 -2.00 20.00 -2.00 315.82 0.00e+00 1.554 0.000 302.00 328.00 3 4.6818e+00 1.9730e-03 2.0852e-02 -6.0000e+00 2.9712e-02 8.2328e-03 2.1992e-03 1.3602e-02 -6.0000e+00 3.2046e-02 3.6249e-03 1.2737e-03 6.5891e-03 -6.0000e+00 1.9076e-02 -4.1333e-03 5.9087e-04 1.7949e-03 -6.0000e+00 7.9662e-03 7.4069e-04 -3.7990e-04 4.3203e-05 2.3325e-05 -6.0000e+00 5.8525e-04 4.3698e-03 0.0000e+00 11 8 0 10 0 0 99.95 22.66 0.18 0.00437 0.00152 37 7 1 5 0 1365.520 26.00 20.02 22.66 27.24 35.0 1090.10 -7862 -6796 6783 -8929 -632 -788 -1470 6343 1425 -2138 -4444 -697 -2391 -307 2978 -651 -4063 7058 3222 2532 1738 69 2393 -2331 208 -1035 4263 -1730 -726 -536 1022 1990 803 -2805 -1447 2451 -1766 142 674 369 -1594 16 -2008 -1599 -1217 248 -1488 -6 -446 673 198 -347 -244 1379 1443 709 1737 994 939 829 1157 2011 1421 -161 -304 -1233 477 -271 1122 881 -333 160 -253 -771 -66 -778 479 1028 1025 38 -308 -311 -1195 -1246 -1443 -559 -927 -301 -821 -421 -180 311 225 1070 1113 875 516 571 -455 -607 -254 -686 142 978 240 -909 -462 -572 87 296 245 -420 -228 -5 -234 241 683 1004 405 -100 -578 -452 72 121 45 36 482 1112 884 -4 654 154 376 314 239 -377 18 369 -459 -669 -277 -229 -300 -34 -1210 -1139 1046 -1541 -95 -111 -212 931 241 -398 -859 -132 -491 -69 728 -179 -1210 1984 965 788 557 23 775 -810 74 -387 1550 -641 -255 -182 346 705 306 -1141 -580 925 -703 61 329 203 -974 10 -1330 -1072 -816 165 -992 -4 -287 427 128 -235 -173 1002 1080 545 1349 779 734 644 900 1597 1189 -143 -277 -1115 407 -224 918 762 -311 156 -252 -769 -64 -722 413 834 818 31 -277 -299 -1224 -1327 -1595 -639 -1106 -369 -1028 -524 -218 361 246 1114 1144 932 584 688 -582 -800 -332 -866 171 1145 288 -1140 -599 -762 118 415 356 -630 -345 -7 -333 327 894 1307 541 -139 -835 -663 105 174 63 50 637 1426 1136 -6 903 219 545 462 359 -586 28 598 -756 -1108 -453 -369 -472 -53 SS 20230617T132032.4Z 8568.555931 159 1 50.30 2 48.04 94.02 40.59 96.12 0.00 1 0.00 1 0 25 1.217e-02 6.639e-03 2.369e-03 1.073e-03 2.480066e-01 5.707376e-04 2.977215e-03 -6.000000e+00 7.357889e-03 232.91 -2.00 3.51 -2.00 316.39 0.00e+00 -5.471155e-05 6.600751e-05 5.366144e-05 -6.000000e+00 3.251738e-04 286.92 -2.00 20.00 -2.00 315.61 0.00e+00 1.493 0.000 302.00 328.00 3 4.2300e+00 1.4994e-03 1.9986e-02 -6.0000e+00 1.8468e-02 6.3463e-03 1.6686e-03 1.2998e-02 -6.0000e+00 1.9919e-02 3.3329e-04 9.6088e-04 6.2999e-03 -6.0000e+00 1.1858e-02 -2.8997e-03 4.4064e-04 1.7107e-03 -6.0000e+00 4.9516e-03 1.2632e-03 -4.3051e-04 3.2964e-05 2.2817e-05 -6.0000e+00 3.6379e-04 4.4922e-03 0.0000e+00 11 8 0 10 0 0 99.98 22.66 0.17 0.00449 0.00126 70 13 1 5 0 718.440 26.00 19.99 22.66 27.24 35.0 1089.08 -4667 -3489 1153 -6452 -540 1099 1 4842 907 -763 -2366 802 -1128 750 2168 -835 -1240 -1079 2356 1245 596 272 1353 -788 337 -361 1489 -809 -247 358 1191 2313 902 -1943 -1274 1786 -301 191 648 -119 -1142 -570 -1503 -1423 -1189 -487 -1445 -442 -374 601 435 555 339 1211 1119 819 1008 490 884 792 1267 1808 1249 267 -586 -754 312 114 1482 765 -77 -283 -457 -737 -390 -346 332 1100 1041 182 -234 -373 -1413 -1014 -1280 -949 -837 -463 -573 -599 -330 115 371 1079 1260 1135 675 655 -301 -551 -389 -435 25 890 183 -733 -337 -811 13 145 117 -393 -180 -96 -216 505 752 862 618 -140 -785 -363 -179 47 216 177 240 1309 966 320 457 120 354 225 399 -366 -182 120 -359 -564 -331 -210 -207 0 -795 -644 211 -1229 -91 172 0 809 173 -156 -498 166 -253 183 583 -250 -392 -352 770 423 208 96 475 -289 129 -143 588 -318 -92 129 428 865 363 -828 -536 714 -124 86 329 -69 -720 -377 -1027 -986 -822 -336 -994 -297 -247 393 289 383 244 901 858 641 802 392 705 627 1004 1466 1066 240 -543 -690 271 95 1222 669 -73 -279 -461 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