File name: Pandora64s1_NewHavenCT_20250123_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250124T051325.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250123_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20250123 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20250123T133616.6Z 9154.566858 246 1 48.70 2 77.28 130.49 68.69 205.34 0.00 1 0.00 1 0 25 4.123e-01 1.882e-02 1.100e-01 3.682e-03 7.187892e-01 2.036212e-03 8.456808e-03 -6.000000e+00 2.452950e-01 224.01 -2.00 3.52 -2.00 320.96 0.00e+00 1.236808e-02 8.620572e-04 1.529277e-03 -6.000000e+00 1.064701e-02 274.96 -2.00 20.00 -2.00 320.50 0.00e+00 4.421 0.002 302.00 328.00 3 3.1288e+00 6.3485e-03 5.7975e-02 -6.0000e+00 6.0556e-01 2.9239e-01 8.1852e-03 3.8369e-02 -6.0000e+00 6.5779e-01 -3.7684e-01 8.0036e-03 2.3758e-02 -6.0000e+00 3.9113e-01 1.5660e-01 3.9337e-03 1.4089e-02 -6.0000e+00 1.6603e-01 1.1750e-04 -2.4815e-03 1.0418e-04 1.7385e-04 -6.0000e+00 1.2246e-02 4.4732e-03 -2.2545e-04 12 8 8 10 0 0 99.89 21.22 0.19 0.00447 -0.01417 52 13 1 5 0 936.300 25.68 20.01 21.22 0.41 36.5 915.96 -94603 -134508 -60410 -160305 -265531 -160533 -55894 -151714 -24772 -126630 -69123 -101507 -33725 -68301 327 -26301 19316 -15895 -73 -2675 8108 6331 60709 5302 -10511 -13292 -21316 -31850 -10902 -46595 -5180 4044 15799 19570 1380 -2560 -4338 9561 5249 14013 8323 8744 9590 6698 4656 14061 17220 19254 13321 4905 15343 16375 14735 12579 8827 7978 3565 4274 3521 7683 4404 5120 8599 5834 8017 4799 4223 5049 3146 4518 2605 2764 -1116 -1505 -1621 -2064 1028 -4136 -1746 -549 -1286 -1634 -2531 -3595 -1340 -2368 -136 -1029 1049 175 -269 -1693 -3162 -3651 -678 -932 -555 528 1043 -994 -73 -1899 -2148 -1028 -248 -2491 -1051 -632 -450 260 1285 -41 164 65 243 -713 394 -469 929 716 813 768 1685 1083 1565 997 -1057 864 1472 562 812 -419 -764 -407 458 -122 -680 352 103 -362 -324 -1132 -1040 -2329 -556 -3487 -14405 -3187 -426 -3200 -166 -2301 -760 -1936 -439 -1655 5 -631 329 -428 -2 -69 186 145 831 130 -307 -409 -713 -1117 -352 -2391 -218 181 721 872 70 -142 -273 612 415 1157 745 830 954 704 517 1478 1827 2124 1655 723 2286 2652 2624 2451 1736 1618 758 881 756 1611 970 1264 2328 1805 2478 1511 1376 1714 1229 1852 1150 1232 -494 -621 -638 -748 358 -1625 -785 -274 -745 -1072 -1707 -2591 -1009 -1890 -110 -848 834 133 -192 -1176 -2225 -2806 -583 -890 -606 615 1263 -1189 -84 -1995 -2134 -1053 -268 -2868 -1282 -795 -630 388 2068 -67 273 105 371 -1081 608 -760 1559 1212 1332 1204 2541 1642 2293 1428 -1540 1301 2503 1029 1553 -857 -1659 -901 1068 -283 -1607 831 246 -820 -692 -2399 SS 20250123T134617.0Z 9154.573808 249 1 49.05 2 75.87 132.44 69.53 207.58 0.00 1 0.00 1 0 25 2.814e-01 2.579e-02 8.476e-02 4.530e-03 6.446363e-01 2.454182e-03 7.847092e-03 -6.000000e+00 1.673145e-01 224.01 -2.00 3.52 -2.00 320.53 0.00e+00 1.864151e-02 8.962538e-04 1.480421e-03 -6.000000e+00 7.270313e-03 274.96 -2.00 20.00 -2.00 320.04 0.00e+00 4.008 0.001 302.00 328.00 3 4.0302e+00 7.2721e-03 5.2281e-02 -6.0000e+00 4.1303e-01 3.7634e-01 8.8060e-03 3.5639e-02 -6.0000e+00 4.4876e-01 -4.6066e-01 7.6480e-03 2.3060e-02 -6.0000e+00 2.6683e-01 1.9739e-01 3.8744e-03 1.8154e-02 -6.0000e+00 1.1319e-01 7.2527e-05 -3.5745e-03 1.2857e-04 2.1572e-04 -6.0000e+00 8.3609e-03 7.1641e-03 -3.0408e-04 12 8 8 10 0 0 99.91 21.23 -0.03 0.00716 -0.01970 18 4 1 5 0 2724.330 25.68 19.99 21.23 0.69 36.4 917.05 -57103 -65648 -41129 -56128 -221231 -84081 -21841 -57343 12264 -68680 -61853 -32879 12159 -45847 39543 -11487 12343 19137 14552 24679 59953 52743 46219 18041 16498 -14703 -11767 -17454 9023 -39095 14121 12300 39976 23922 27720 7250 20914 7483 14976 14116 13040 8016 13220 -1140 12920 13211 24226 17562 20519 1876 17025 20229 18932 7819 12475 4225 4088 -1200 2700 4901 1898 8470 7762 5497 11173 4614 4454 6041 3336 3312 1849 2074 -1148 -1526 -4156 -2037 726 -3657 -1739 -743 -2766 -3077 -5133 -4060 -2721 -3472 -938 -1093 561 434 -907 372 -4943 -4515 -1790 -258 -1670 643 788 117 -534 -1202 -2638 -1007 -526 -2494 -1307 382 -503 152 1390 216 -30 333 -540 -555 569 -60 1351 1380 842 1231 1910 1687 2095 1166 -570 947 1960 567 1155 -582 -32 -612 146 -312 -774 223 199 -431 -724 -1777 -1246 -1740 -887 -1283 -21188 -2163 -314 -1117 137 -1535 -1350 -666 225 -1777 873 -471 468 746 620 975 1620 1466 1357 689 630 -729 -566 -895 403 -3137 818 839 2344 1655 1734 573 1581 738 1584 1598 1597 1094 1816 -187 1910 2027 3452 2809 3334 394 3399 4242 4291 2090 3213 1130 1145 -345 735 1339 546 2570 2676 2136 4157 1785 1750 2418 1533 1698 964 1089 -595 -775 -1963 -861 293 -1636 -888 -421 -1825 -2283 -3949 -3255 -2298 -3100 -849 -1001 498 365 -722 291 -3835 -3742 -1649 -259 -1946 788 1007 145 -648 -1324 -2785 -1089 -602 -3035 -1615 500 -704 234 2206 355 -49 536 -834 -839 876 -97 2179 2255 1400 1958 2928 2478 3091 1685 -829 1419 3275 1018 2151 -1159 -65 -1307 317 -699 -1763 508 444 -946 -1509 -3685 SS 20250123T140355.3Z 9154.586057 259 1 42.88 2 73.49 135.98 71.16 211.42 0.00 1 0.00 1 0 25 1.839e-01 7.998e-03 2.529e-02 1.251e-03 5.799037e-01 6.709648e-04 6.764034e-03 -6.000000e+00 1.094778e-01 224.01 -2.00 3.52 -2.00 319.82 0.00e+00 2.357652e-03 2.091449e-04 4.821807e-04 -6.000000e+00 4.746462e-03 274.96 -2.00 20.00 -2.00 319.31 0.00e+00 3.464 0.001 302.00 328.00 3 2.3823e+00 1.8949e-03 4.5643e-02 -6.0000e+00 2.7028e-01 4.0067e-02 2.2793e-03 2.9904e-02 -6.0000e+00 2.9349e-01 -3.7494e-02 2.0387e-03 1.5662e-02 -6.0000e+00 1.7452e-01 5.7374e-03 1.0607e-03 5.4537e-03 -6.0000e+00 7.4157e-02 7.6463e-04 -7.6535e-04 3.6566e-05 6.1977e-05 -6.0000e+00 5.4600e-03 1.4976e-03 -7.7581e-05 12 9 1 12 1 1 99.70 21.24 0.14 0.00150 -0.00425 107 29 1 5 0 396.960 25.79 20.01 21.24 1.10 36.5 918.69 -56508 -72221 -22161 -75424 -110616 -61134 -43898 -75120 -21895 -44258 -39330 -39734 -19147 -25711 -7537 -14664 -921 -8329 -6940 -6564 -2222 -4982 463 -4016 -4394 -6493 -4485 -7645 -2789 -9785 -192 -2018 897 -1336 -6427 -4799 -1771 -2174 239 577 916 94 -404 -925 125 1637 370 1523 -217 238 1584 3774 1730 2632 629 1641 924 578 -35 474 598 1956 2071 2487 1421 -432 155 -344 1317 1647 308 822 -464 439 -805 -1133 -1079 -2168 -988 -390 -1506 -981 -1949 -2038 -709 -536 351 504 1088 875 366 426 -707 -64 975 184 -129 963 602 -329 -441 -1705 -1867 53 341 -1648 -510 -746 -89 286 835 201 279 179 59 -211 601 -172 627 209 -166 -471 725 119 1000 703 -923 706 930 198 216 -605 -675 -428 384 -216 -451 315 386 -233 238 -616 -714 -1185 -254 -1255 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