File name: Pandora75s1_EssexMD_20250108_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T090620.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250108_L1_smca1c3d20230525p1-8.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: 20250108 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 session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250108T142154.1Z 9139.598542 158 1 50.93 2 73.28 139.00 116.81 33.43 0.00 1 0.00 1 0 17 2.335e-01 1.676e-02 9.132e-02 3.867e-03 5.129034e-01 2.035556e-03 6.329055e-03 -6.000000e+00 1.384518e-01 223.72 -2.00 3.48 -2.00 319.92 0.00e+00 4.027050e-03 6.561565e-04 2.980892e-03 -6.000000e+00 6.178865e-03 277.09 -2.00 20.00 -2.00 319.36 0.00e+00 3.423 0.001 302.00 328.00 3 4.7288e+00 5.8436e-03 4.3915e-02 -6.0000e+00 3.4092e-01 5.2611e-02 7.0045e-03 2.8690e-02 -6.0000e+00 3.7171e-01 -7.3564e-02 5.9358e-03 1.5884e-02 -6.0000e+00 2.2097e-01 3.0268e-02 3.0548e-03 5.5702e-03 -6.0000e+00 9.2034e-02 8.2916e-05 -3.0914e-04 1.2043e-04 9.4217e-05 -6.0000e+00 7.3011e-03 1.2837e-02 -1.2124e-05 12 8 8 10 0 0 82.08 22.77 0.46 0.01284 0.01051 13 2 1 5 0 3917.670 25.68 20.00 22.77 5.85 5.8 868.04 -189429 1622 900000 66242 -90856 -57504 900000 -10682 -46695 3535 -34414 -44710 13695 900000 41587 -29391 -26270 -10166 25034 -16733 26353 2627 -18293 -15498 -22162 2904 2284 -35490 -6112 72089 8852 -4891 16608 -11901 16980 11485 -6448 -1270 10919 14195 -5904 12420 18766 4285 8 2517 9346 3580 855 7307 2488 -230 6777 7802 2460 6974 -642 -4359 -1245 -3091 3045 6736 1038 1501 2680 -1837 1243 -1145 4156 2468 -713 2102 -1722 -728 -1021 -50 -3011 -72 -1861 -4548 -735 -3195 -791 -1236 -2093 171 603 596 -123 2383 596 -937 -1121 -2337 -2587 156 -208 38 1682 64 -2099 -1887 -1646 -1446 -1741 -2164 -887 783 1345 941 2315 542 -170 -481 -490 969 221 575 590 629 1148 628 1389 634 495 -289 -467 -867 735 34 -688 -343 -101 -166 16 -560 47 583 -696 762 -47 -486 -582 -10968 16 900000 363 -2241 -985 900000 -145 -1003 49 -739 -1179 243 900000 846 -1429 -1386 -498 925 -984 1033 132 -1165 -1016 -1645 175 140 -3116 -396 2255 590 -431 1327 -1337 1408 1008 -736 -160 1461 2156 -1226 2303 3423 929 2 574 2018 834 211 1779 690 -72 2140 2614 830 2323 -235 -1649 -449 -1132 1090 2534 460 721 1312 -919 590 -567 2119 1436 -467 1394 -1175 -467 -605 -27 -1547 -36 -1036 -2996 -535 -2450 -643 -1073 -1956 166 610 619 -128 2325 553 -823 -945 -2034 -2468 164 -232 47 2173 83 -2623 -2160 -1919 -1705 -2017 -2662 -1139 1056 1953 1392 3632 893 -279 -753 -722 1459 313 847 916 1010 1834 983 2087 921 742 -420 -667 -1296 1100 56 -1229 -600 -184 -318 33 -1118 96 1194 -1428 1583 -94 -930 -1100 SS 20250108T142718.9Z 9139.602302 161 1 51.00 2 72.60 140.10 116.24 34.65 0.00 1 0.00 1 0 17 2.380e-01 1.573e-02 1.038e-01 3.528e-03 4.966855e-01 1.845139e-03 6.028956e-03 -6.000000e+00 1.401164e-01 223.72 -2.00 3.48 -2.00 319.78 0.00e+00 4.218108e-03 5.678459e-04 2.344196e-03 -6.000000e+00 6.271163e-03 277.09 -2.00 20.00 -2.00 319.21 0.00e+00 3.297 0.001 302.00 328.00 3 4.7258e+00 5.2275e-03 4.1794e-02 -6.0000e+00 3.4503e-01 4.2877e-02 6.2339e-03 2.6294e-02 -6.0000e+00 3.7603e-01 -5.6642e-02 5.1698e-03 1.4860e-02 -6.0000e+00 2.2437e-01 2.2230e-02 2.6691e-03 5.6768e-03 -6.0000e+00 9.3795e-02 9.5515e-05 -1.8150e-04 1.0961e-04 8.1210e-05 -6.0000e+00 7.3868e-03 1.2575e-02 -1.8701e-05 12 8 8 10 0 0 79.56 22.78 0.72 0.01257 0.01121 14 2 1 5 0 3642.230 25.68 20.00 22.78 6.14 5.8 870.44 -181607 -53478 900000 -10312 -58361 -46606 129956 -13146 -74791 3537 -49197 -27558 50930 900000 -8930 -25396 1341 -10250 12234 -11647 1371 22565 -11211 -6708 -29630 2019 -3216 -17443 -9165 38186 14446 -9884 5652 -3678 13058 8667 1543 1506 8008 8577 -2494 12448 7841 3252 -35 5271 5434 -1193 3895 6408 3635 -1143 4787 5786 2285 4331 498 -1990 -1148 -1769 2243 6420 3611 3655 2774 -1971 612 -332 3004 1895 -886 1669 -1479 -296 -1517 -2341 -3480 -858 -1303 -3063 -2701 -3250 -1856 -1229 -1957 161 290 899 -187 1564 832 -33 -1605 -2065 -1817 327 554 138 1418 -465 -1107 -2175 -1221 -1187 -1859 -1623 -545 908 292 1368 1924 698 548 -605 -725 1492 136 118 827 126 616 1099 716 807 233 -487 404 -1012 528 -206 -346 -479 -112 -73 -260 -512 316 509 -670 839 26 -570 -561 -11129 -1053 900000 -139 -1186 -816 447 -208 -2418 56 -1387 -692 701 900000 -338 -1328 60 -561 572 -725 77 1032 -740 -448 -2629 136 -231 -1416 -678 1852 1004 -1006 552 -416 1230 855 178 202 1204 1501 -545 2509 1734 774 -9 1271 1325 -316 1007 1699 1074 -352 1506 1928 827 1584 193 -786 -442 -685 868 2596 1666 1834 1445 -1049 310 -173 1637 1171 -614 1172 -974 -200 -956 -1348 -1895 -456 -758 -2087 -1925 -2609 -1593 -1114 -1908 163 284 897 -187 1607 804 -30 -1415 -1861 -1783 329 630 176 1892 -626 -1410 -2571 -1350 -1331 -2228 -2052 -720 1262 410 2071 3108 1097 849 -968 -1093 2114 197 179 1306 208 1010 1749 1107 1197 332 -672 583 -1433 804 -346 -584 -848 -207 -142 -500 -1033 648 1053 -1389 1652 50 -1106 -1075 SS 20250108T143251.3Z 9139.606149 164 1 49.98 2 71.93 141.24 115.62 35.88 0.00 1 0.00 1 0 17 2.831e-01 1.349e-02 1.182e-01 3.289e-03 4.825592e-01 1.703122e-03 5.775004e-03 -6.000000e+00 1.666163e-01 223.72 -2.00 3.48 -2.00 319.59 0.00e+00 2.980189e-03 4.924449e-04 1.996356e-03 -6.000000e+00 7.340351e-03 277.09 -2.00 20.00 -2.00 319.01 0.00e+00 3.181 0.001 302.00 328.00 3 4.7098e+00 4.8011e-03 4.0386e-02 -6.0000e+00 4.1036e-01 3.4536e-02 5.6622e-03 2.5479e-02 -6.0000e+00 4.4722e-01 -3.6917e-02 4.5746e-03 1.3697e-02 -6.0000e+00 2.6659e-01 1.1210e-02 2.3813e-03 4.6697e-03 -6.0000e+00 1.1100e-01 1.1061e-04 -2.3930e-04 1.0172e-04 6.8621e-05 -6.0000e+00 8.7519e-03 1.2578e-02 -2.0267e-05 12 9 8 11 8 0 64.71 22.78 0.44 0.01258 0.01078 15 2 1 5 0 3331.590 25.68 20.00 22.78 6.50 5.7 872.49 -158165 9938 116875 24876 -66138 -39451 37894 -27482 -59602 -14239 -16108 -7885 28645 231635 1505 -20033 -7592 -11366 -2568 -7878 13588 5869 -11241 -4786 -23761 -946 -2519 -12782 -827 21735 -2412 -5124 4799 -8600 5338 2010 -5688 -2410 4355 8025 -1696 6905 3520 3347 -457 6009 4147 -361 1643 5440 4728 -2883 3905 4974 2245 2465 -699 -1096 -2135 -592 2936 5426 2246 2074 1645 -1838 581 -1726 3656 1320 -223 2225 -91 -629 -1567 -1986 -2470 -1368 -1463 -2949 -2388 -2029 -1149 -419 -1609 -697 303 626 3 2379 649 -1259 -1010 -1854 -1074 64 590 438 1240 -364 -1197 -1454 -1372 -1411 -1795 -1720 -737 487 918 1233 1841 668 737 -373 -836 1047 298 45 396 -37 951 761 994 504 541 -484 348 -873 503 91 -715 -334 -410 -201 43 -498 33 582 -260 493 72 -599 -423 -8810 119 562 295 -1825 -810 377 -582 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