File name: Pandora75s1_EssexMD_20250104_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20250105T051858.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20250104_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250104 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20250104T141623.6Z 9135.594717 96 1 53.37 2 74.18 138.53 106.08 87.89 0.00 1 0.00 1 0 17 2.677e-01 1.437e-02 2.210e-01 8.221e-03 5.503417e-01 4.590246e-03 6.514671e-03 -6.000000e+00 1.615266e-01 223.62 -2.00 3.48 -2.00 320.66 0.00e+00 5.507596e-03 1.781453e-03 1.902360e-03 -6.000000e+00 7.463723e-03 277.32 -2.00 20.00 -2.00 320.16 0.00e+00 3.605 0.001 302.00 328.00 3 4.3794e+00 1.4036e-02 4.6019e-02 -6.0000e+00 3.9940e-01 1.4706e-01 1.7690e-02 2.9126e-02 -6.0000e+00 4.3341e-01 -1.3755e-01 1.6717e-02 1.7583e-02 -6.0000e+00 2.5590e-01 4.6549e-02 8.3742e-03 7.7752e-03 -6.0000e+00 1.0932e-01 8.9844e-05 -1.2354e-03 2.6572e-04 1.1140e-04 -6.0000e+00 8.3704e-03 -2.5395e-02 1.8398e-04 12 9 8 11 24 0 96.24 22.80 0.33 -0.02539 -0.03468 14 2 1 5 0 3812.090 25.68 20.00 22.80 6.77 5.7 872.78 9892 1349 -120483 900000 -173811 900000 -163065 33466 900000 900000 -7347 -66785 21848 -31801 -23585 -54644 19476 -44131 39670 -30294 -2078 18235 5156 22889 -11697 29232 -25990 -15124 -31695 21538 -1452 1568 -4257 8140 5244 19558 6416 -22284 13796 -4001 5373 17008 2971 5363 -8692 7383 10183 7011 3273 12707 -4112 3315 12229 6206 7084 -488 1699 -4403 4521 -545 6588 993 8830 -4369 5173 98 2640 -3716 2114 4516 -262 5077 -980 3275 -1135 -43 -4567 -1210 -477 -2429 -322 -162 -1313 -2803 -619 -3473 739 1059 2195 2429 -1431 587 -1134 -2634 -3793 -1542 -123 120 554 513 -1095 -2455 581 -1430 -898 -1775 -204 -414 836 1330 871 -96 238 59 -309 781 -1326 46 373 958 -486 1504 1360 964 -174 -264 -1789 268 453 741 -112 -673 -3 629 -702 186 313 477 126 -202 -1008 -274 79 11 -2654 900000 -6033 900000 -5007 268 900000 900000 -70 -1264 207 -648 -550 -2069 397 -1864 780 -1257 -67 478 158 617 -468 809 -1268 -650 -1592 674 -66 80 -260 468 305 983 397 -2126 1095 -446 610 1845 389 707 -1342 989 1350 980 491 1832 -764 690 2527 1461 1736 -133 460 -1259 1159 -146 1710 297 2730 -1690 1885 37 949 -1456 847 1982 -131 2513 -510 1545 -514 -18 -1814 -468 -201 -1210 -181 -102 -910 -2095 -483 -2954 631 922 1880 1992 -1138 427 -808 -1949 -3120 -1413 -127 139 676 621 -1266 -2633 567 -1437 -950 -2003 -240 -522 1132 1965 1395 -160 393 94 -462 1114 -1946 70 590 1556 -798 2351 2058 1405 -245 -358 -2429 372 692 1242 -205 -1305 -5 1327 -1590 435 749 1152 301 -466 -2227 -575 SS 20250104T142206.8Z 9135.598690 99 1 53.19 2 73.46 139.68 105.00 88.75 0.00 1 0.00 1 0 25 1.956e-01 1.102e-02 2.433e-01 7.147e-03 5.352542e-01 3.925570e-03 6.411539e-03 -6.000000e+00 1.168535e-01 223.62 -2.00 3.48 -2.00 320.56 0.00e+00 1.066092e-03 1.477288e-03 2.758140e-03 -6.000000e+00 5.085692e-03 277.32 -2.00 20.00 -2.00 320.04 0.00e+00 3.457 0.001 302.00 328.00 3 4.3896e+00 1.1867e-02 4.5662e-02 -6.0000e+00 2.8790e-01 9.5949e-02 1.4878e-02 3.1916e-02 -6.0000e+00 3.1190e-01 -7.8102e-02 1.4055e-02 1.6124e-02 -6.0000e+00 1.8586e-01 1.7782e-02 7.0974e-03 4.6249e-03 -6.0000e+00 7.9604e-02 1.0712e-04 -1.2928e-03 2.3022e-04 7.8848e-05 -6.0000e+00 6.0148e-03 -2.6462e-02 1.1716e-04 12 9 8 11 16 0 63.87 22.80 0.60 -0.02646 -0.03618 14 2 1 5 0 3798.970 25.68 20.00 22.80 6.85 5.7 873.89 -59182 -22897 -53289 -73215 -14931 -33355 97284 -66531 -59021 -88015 43173 -26175 36605 -59279 -8479 -11422 -28143 6251 -260 -19775 3290 4480 -15098 -26896 -5435 7865 -12624 -19061 -27590 4207 -7665 -5363 -14411 -14365 -11464 -9631 -16172 -6641 415 1769 94 -3787 7000 -3721 -243 14778 3254 7459 2125 573 2626 -1846 2057 -220 829 3723 10257 727 -1573 2665 321 1919 4377 1829 785 1503 111 1420 3693 4077 1809 -511 1877 97 -596 -1518 -5994 -7205 -2095 -1401 -1473 -1280 -2192 -514 -1613 -703 -317 2639 -343 1507 303 -343 -1319 -3408 -2225 960 2022 551 124 749 -1500 -1292 -802 -815 -328 -1493 -611 400 345 1309 228 388 316 -204 -1020 36 -509 609 1415 133 60 1722 1001 532 -8 -945 -431 732 -715 -1220 -456 -112 -846 -420 -215 272 298 1292 -71 26 -365 -469 -550 -173 -588 -978 -104 -296 678 -969 -897 -1952 301 -365 325 -1690 -177 -289 -945 162 -8 -752 102 139 -593 -1278 -224 299 -600 -942 -1451 168 -388 -306 -1013 -1074 -821 -677 -1322 -576 40 202 12 -552 958 -580 -37 2152 537 1201 372 107 525 -424 495 -58 229 1038 2737 213 -461 743 94 604 1495 700 314 582 43 552 1523 1884 934 -281 1000 50 -284 -660 -2548 -3108 -939 -719 -869 -846 -1590 -390 -1321 -605 -284 2354 -313 1297 246 -262 -977 -2633 -1860 882 2094 647 155 921 -1774 -1398 -812 -835 -355 -1727 -740 513 480 1973 375 658 529 -327 -1559 52 -749 922 2240 221 99 2724 1543 791 -12 -1312 -585 1025 -1114 -2097 -839 -217 -1723 -898 -487 638 716 3111 -172 61 -807 -994 SS 20250104T142733.2Z 9135.602467 102 1 52.72 2 72.78 140.79 103.97 89.57 0.00 1 0.00 1 0 17 2.014e-01 1.057e-02 2.001e-01 6.415e-03 5.136067e-01 3.504471e-03 6.063493e-03 -6.000000e+00 1.203692e-01 223.62 -2.00 3.48 -2.00 320.45 0.00e+00 3.384692e-03 1.274033e-03 1.803150e-03 -6.000000e+00 5.237101e-03 277.32 -2.00 20.00 -2.00 319.92 0.00e+00 3.330 0.001 302.00 328.00 3 4.3566e+00 1.0497e-02 4.2779e-02 -6.0000e+00 2.9657e-01 9.2107e-02 1.3059e-02 2.7577e-02 -6.0000e+00 3.2123e-01 -7.5179e-02 1.2198e-02 1.5632e-02 -6.0000e+00 1.9142e-01 1.9334e-02 6.1906e-03 5.7432e-03 -6.0000e+00 8.2025e-02 1.2713e-04 -1.3724e-03 2.0724e-04 8.3753e-05 -6.0000e+00 6.1918e-03 -2.7074e-02 2.3318e-04 12 9 8 11 16 0 96.84 22.81 0.44 -0.02707 -0.03739 15 2 1 5 0 3514.100 25.68 20.00 22.81 6.94 5.7 874.74 -30408 -62805 91855 -98310 -240 -106763 -31103 -56756 26830 -17924 -62000 16163 -40990 -16915 46678 -23149 1595 -31513 8033 2596 3709 -18480 48729 -15903 -1103 -5293 -8208 -6809 -24191 2928 17502 24018 13112 893 -4497 1416 -6836 -170 1745 -2127 55 2771 1408 2282 2254 3389 71 6511 -1289 3302 12667 1376 7093 199 870 95 376 -2560 -2256 624 -1273 -690 1675 36 1679 -1487 -1461 1252 1617 1748 1936 331 -663 1991 -364 -4924 -1238 -1029 -2786 -861 -3120 -2250 -2391 -2096 838 -878 3461 1056 1674 1325 -97 926 -1202 -721 132 -402 679 713 138 768 -1003 -2085 -464 -1363 -1751 -1963 -184 -510 1113 1446 639 -176 -318 373 -151 -445 -306 -331 733 368 866 1634 1201 721 -1300 -839 -793 436 -118 -505 -1195 -750 250 -305 35 22 161 968 397 24 -777 -204 -254 -851 575 -2236 -2 -2368 -336 -871 198 -224 -1269 165 -886 -356 637 -750 45 -1362 251 90 131 -820 1136 -751 -48 -250 -406 -325 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