File name: Pandora64s1_NewHavenCT_20250410_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250411T050658.6Z 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 v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250410_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: 20250410 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 20250410T113010.3Z 9231.479286 229 1 21.74 2 77.65 89.97 113.90 296.82 0.00 1 0.00 1 0 25 3.319e-01 3.918e-02 1.129e-01 9.348e-03 6.575491e-01 5.180300e-03 9.594260e-03 -6.000000e+00 2.003479e-01 228.15 -2.00 3.52 -2.00 320.88 0.00e+00 3.450549e-02 1.975863e-03 5.502998e-03 -6.000000e+00 8.740669e-03 279.56 -2.00 20.00 -2.00 320.34 0.00e+00 4.542 0.002 302.00 328.00 3 3.7506e+00 1.5984e-02 5.7397e-02 -6.0000e+00 4.9852e-01 7.0296e-01 1.8683e-02 3.6004e-02 -6.0000e+00 5.3966e-01 -1.0175e+00 1.3320e-02 2.7652e-02 -6.0000e+00 3.2072e-01 4.4752e-01 6.7361e-03 2.5662e-02 -6.0000e+00 1.3548e-01 5.3046e-05 -4.9872e-03 2.6746e-04 4.4193e-04 -6.0000e+00 9.8788e-03 -2.3449e-03 -7.1565e-04 12 9 9 12 1 1 65.12 21.55 -0.13 -0.00234 -0.03982 7 4 1 5 0 2716.430 26.00 20.00 21.55 8.69 38.3 961.36 48196 91894 27356 79417 -156021 -25827 -43239 -53333 -47142 -50559 -79100 -27233 -13551 13674 45136 59003 35682 60409 55070 107274 73996 97478 90880 20915 29268 -3348 -12145 -13127 26059 -18464 3442 33518 54250 59872 44776 28605 36205 17196 21420 33891 57694 22290 38277 6267 34044 33845 51820 38548 45196 1742 49600 35175 53000 18880 25635 2086 11182 -3174 12979 6057 6384 10784 21458 8637 26012 7893 14477 15967 7838 10201 2485 884 -37 -3914 -3258 -3683 3103 -7506 -6418 1582 -5327 -2746 -2050 -3857 -5084 -3986 -2557 -2472 -1056 -1553 -5094 53 -9507 -5376 -7073 -4152 -4469 931 -254 1097 -1235 -1724 -6033 -1858 -2746 -2872 -3695 2458 -1771 804 1282 303 -353 1036 -758 528 249 15 1120 3041 2474 2025 3765 3680 2511 2489 -674 1691 1923 2423 2125 -330 -446 -801 309 -1250 -839 -79 320 -1248 -792 -2664 1499 2146 1159 1855 -25741 -1163 -1994 -2431 -1845 -1898 -3944 -1008 -610 638 1960 2626 2200 3142 3071 3728 3134 3110 2796 1077 1255 -190 -742 -831 1230 -1552 291 2570 3781 3884 3073 2285 2815 1654 2169 3261 4826 2630 4109 968 4189 4388 5852 5212 5928 373 7158 6252 8239 4254 5283 502 2520 -754 2734 1420 1541 2825 5724 2896 7450 2628 4535 5040 2963 4174 1147 415 -17 -1697 -1269 -1316 1020 -2928 -2906 784 -3074 -1727 -1361 -2734 -3885 -3163 -2083 -2042 -852 -1199 -3798 35 -6902 -4021 -5897 -3932 -4911 1051 -306 1271 -1362 -1802 -6188 -1894 -3014 -3298 -4394 2975 -2484 1173 2027 498 -577 1607 -1145 773 378 23 1870 5072 4053 3204 5683 5571 3724 3595 -994 2536 3259 4339 4150 -669 -952 -1815 706 -2989 -2018 -191 755 -2831 -1757 -5699 SS 20250410T113555.1Z 9231.483277 232 1 48.04 2 76.57 90.92 114.85 297.94 0.00 1 0.00 1 0 25 3.755e-01 1.183e-02 8.293e-02 3.487e-03 6.483560e-01 1.938439e-03 7.565963e-03 -6.000000e+00 2.270808e-01 228.15 -2.00 3.52 -2.00 320.69 0.00e+00 4.635092e-03 7.868005e-04 1.991996e-03 -6.000000e+00 9.878052e-03 279.56 -2.00 20.00 -2.00 320.15 0.00e+00 4.201 0.001 302.00 328.00 3 3.4044e+00 6.0177e-03 5.4749e-02 -6.0000e+00 5.6511e-01 1.0163e-01 7.6643e-03 3.5328e-02 -6.0000e+00 6.1137e-01 -1.7069e-01 7.1944e-03 1.9714e-02 -6.0000e+00 3.6336e-01 6.4520e-02 3.5537e-03 7.4219e-03 -6.0000e+00 1.5371e-01 1.2555e-04 -1.0551e-03 1.0289e-04 1.0500e-04 -6.0000e+00 1.1164e-02 1.5518e-03 -8.2765e-05 12 9 9 12 9 1 98.28 21.56 0.03 0.00155 -0.00638 35 9 1 5 0 1334.300 26.00 19.98 21.56 8.81 38.3 961.68 -167080 -92641 -123745 -120727 -153958 -110850 -149685 -114374 -72512 -58204 -130263 -83771 -79133 -52545 -35861 -30675 -46695 8939 -22624 -8232 -34654 18006 8079 5087 -22468 8732 -18639 -17189 -26077 -29082 -18740 -2030 -4058 3729 -10930 -3856 -3864 2606 3248 6261 9025 4075 4059 -6084 -721 3809 5523 4129 -865 -3535 9477 1793 10319 3691 6313 2611 6224 -764 4681 460 2503 1972 5159 2178 6727 81 2685 1208 3093 1977 2750 378 1420 -361 -191 -2461 2073 -3800 -2125 -668 -1384 -2129 -1842 -2467 -815 -1270 828 -301 811 753 -213 154 -2427 -2100 -13 78 -434 964 738 -234 -770 -1517 -3306 -23 21 -1718 -777 518 -143 528 933 351 -146 350 -551 -423 397 -21 678 594 12 -7 1073 1037 366 809 -1442 1038 598 463 372 -585 -923 -510 421 206 -273 395 314 -81 -158 -980 -3341 -1043 -1998 -1770 -2802 -1437 -2934 -1871 -863 -643 -2996 -1566 -1816 -1172 -838 -748 -1485 192 -665 -221 -1220 402 213 148 -854 253 -712 -636 -1095 -1437 -1004 -106 -247 213 -697 -244 -263 198 296 641 982 496 518 -829 -101 523 767 610 -134 -613 1619 364 2092 863 1493 664 1550 -201 1143 119 675 598 1617 773 2306 29 961 461 1312 953 1331 191 717 -174 -83 -1008 796 -1635 -1041 -360 -861 -1503 -1325 -1897 -661 -1090 724 -269 706 621 -166 114 -1831 -1700 -11 78 -492 1159 923 -285 -879 -1652 -3502 -25 24 -2007 -964 682 -201 788 1500 581 -240 547 -827 -648 620 -34 1117 993 20 -11 1694 1568 541 1152 -2086 1600 1000 823 717 -1155 -1930 -1091 949 465 -627 911 709 -181 -335 -2065 SS 20250410T114630.8Z 9231.490635 235 1 48.26 2 74.58 92.68 116.56 300.04 0.00 1 0.00 1 0 25 2.077e-01 8.037e-03 2.452e-02 1.100e-03 5.753560e-01 6.000278e-04 6.644493e-03 -6.000000e+00 1.256407e-01 228.15 -2.00 3.52 -2.00 320.08 0.00e+00 1.659966e-03 2.048134e-04 8.106802e-04 -6.000000e+00 5.464391e-03 279.56 -2.00 20.00 -2.00 319.51 0.00e+00 3.691 0.001 302.00 328.00 3 1.9479e+00 1.7514e-03 4.7888e-02 -6.0000e+00 3.1267e-01 -3.6676e-03 2.1416e-03 3.0404e-02 -6.0000e+00 3.3824e-01 -2.9095e-02 1.9272e-03 1.5697e-02 -6.0000e+00 2.0103e-01 3.7552e-03 9.8490e-04 5.0069e-03 -6.0000e+00 8.5060e-02 9.6953e-04 -5.6956e-04 3.2838e-05 6.1472e-05 -6.0000e+00 6.1763e-03 7.9591e-04 -5.6451e-05 11 8 0 10 0 0 46.40 21.55 0.19 0.00080 -0.00348 211 51 1 5 0 228.690 26.00 20.00 21.55 9.11 38.3 963.57 -71302 -61735 -61929 -70637 -131395 -70511 -59852 -52821 -43554 -49051 -53232 -41542 -38064 -25838 -8490 -12309 -10953 -5585 -4039 -5340 -7241 -3165 -741 -5310 -2981 -4955 -7062 -7920 -2668 -10108 1478 -2205 2676 -286 -5288 -2474 -1418 -1443 375 -721 -63 -651 1248 -848 487 -85 709 928 -139 -608 2583 2845 2113 2216 1463 1451 888 516 789 1034 824 1727 2166 2470 1542 -944 162 -711 1292 1673 845 805 -158 454 -261 -1301 -1123 -2372 -827 -628 -1312 -869 -1920 -1994 -539 -281 347 391 1180 687 373 363 -915 -183 561 114 -131 1164 594 -196 -625 -1786 -2137 185 373 -1442 -231 -663 -109 389 802 305 190 85 -149 -475 408 -200 808 447 -245 -162 652 264 945 518 -1347 271 910 269 413 -728 -657 -435 436 -130 -355 481 416 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