File name: Pandora75s1_EssexMD_20250518_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250519T050927.3Z 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 v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250518_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: 20250518 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 20250518T111906.1Z 9269.471598 225 1 53.16 2 74.56 77.00 67.23 203.34 0.00 1 0.00 1 0 17 3.023e-01 1.994e-02 1.140e-01 4.027e-03 5.251025e-01 2.181546e-03 6.745915e-03 -6.000000e+00 1.831468e-01 231.35 -2.00 3.48 -2.00 320.13 0.00e+00 4.662897e-03 7.496459e-04 4.241731e-03 -6.000000e+00 8.390140e-03 284.89 -2.00 20.00 -2.00 319.43 0.00e+00 3.686 0.001 302.00 328.00 3 4.4770e+00 6.5409e-03 4.9093e-02 -6.0000e+00 4.5790e-01 8.9204e-02 7.8828e-03 3.4863e-02 -6.0000e+00 4.9554e-01 -1.4222e-01 6.3524e-03 1.6721e-02 -6.0000e+00 2.9539e-01 6.3317e-02 3.2144e-03 4.3625e-03 -6.0000e+00 1.2289e-01 8.0081e-05 -3.1076e-04 1.2607e-04 1.0611e-04 -6.0000e+00 9.5088e-03 9.1499e-03 -4.1680e-05 12 9 8 11 8 0 -80.59 23.66 0.31 0.00915 0.00681 14 2 1 5 0 3797.110 26.41 20.01 23.66 29.12 6.2 1033.55 -202281 -6738 900000 900000 -65759 -130811 -24067 -56563 -121116 148402 -71935 34266 33766 900000 21416 -4215 -21485 -15304 -10777 -12201 4571 26055 8740 5711 -5079 875 15162 -19594 -4637 67370 -9333 -258 15504 -12237 16915 8163 1942 -3154 17052 26641 -8498 19653 11740 11937 -1057 15550 -139 367 994 12308 6410 1005 6377 11314 7374 7935 3930 -1060 -1385 -4311 1272 9566 5827 2085 3523 916 2135 354 4376 1207 -1375 3410 -2324 -1112 -3091 -2026 -327 439 -4853 -5479 -346 -3938 -2257 -941 -2286 -230 -136 -8 1074 462 -429 -1969 -2117 -2890 -3826 885 541 -307 1132 170 -786 -2217 -1917 -1191 -1269 -1774 -397 658 1593 942 2098 903 72 -798 -379 2067 375 47 805 101 1103 1035 1580 689 761 -963 358 -873 1385 436 -1123 -509 -735 -110 -325 -360 10 811 -433 756 -474 -384 -748 -13208 -72 900000 900000 -1243 -4574 -301 -1070 -4797 582 -2146 390 464 900000 504 -151 -1020 -745 -537 -646 210 971 398 282 -295 50 756 -1353 -273 2036 -689 -20 1156 -1273 1295 682 188 -373 1968 3273 -1658 3101 2101 2193 -225 2850 -30 81 224 2608 1565 284 1852 3353 2388 2638 1385 -391 -505 -1616 469 3537 2260 916 1575 411 926 159 2053 657 -839 2068 -1482 -667 -1742 -1026 -152 203 -2590 -3394 -234 -3101 -1901 -764 -2009 -210 -130 -8 1043 435 -381 -1657 -1864 -2612 -3502 878 614 -364 1404 212 -931 -2653 -2156 -1348 -1526 -2095 -490 858 2229 1451 3195 1440 114 -1221 -588 3010 559 73 1224 161 1735 1589 2515 1063 1121 -1388 500 -1285 2182 706 -1990 -945 -1429 -209 -657 -760 22 1759 -942 1567 -945 -731 -1411 SS 20250518T112908.5Z 9269.478571 228 1 51.44 2 72.66 78.47 67.99 205.62 0.00 1 0.00 1 0 17 2.145e-01 1.399e-02 6.474e-02 3.072e-03 4.813601e-01 1.639656e-03 5.866051e-03 -6.000000e+00 1.300003e-01 231.35 -2.00 3.48 -2.00 319.66 0.00e+00 3.697180e-03 4.880910e-04 2.604183e-03 -6.000000e+00 5.821470e-03 284.89 -2.00 20.00 -2.00 318.94 0.00e+00 3.306 0.001 302.00 328.00 3 4.4385e+00 4.7302e-03 4.2579e-02 -6.0000e+00 3.2511e-01 3.2789e-02 5.5943e-03 2.7517e-02 -6.0000e+00 3.5178e-01 -4.0346e-02 4.3558e-03 1.4172e-02 -6.0000e+00 2.0952e-01 1.4838e-02 2.2381e-03 4.3553e-03 -6.0000e+00 8.6917e-02 1.2627e-04 -1.3787e-04 9.6059e-05 7.0173e-05 -6.0000e+00 6.6538e-03 7.4180e-03 -9.3387e-06 12 9 8 11 32 0 37.48 23.66 0.51 0.00742 0.00638 17 3 1 5 0 3025.360 26.32 19.99 23.66 29.42 6.2 1035.80 -164767 -33140 900000 93908 -57587 -95692 -1699 -37179 -71859 2917 -25047 4407 7798 48475 18667 -4003 -6108 4117 -8668 -19747 7947 3968 -5649 -5939 -8102 -5625 -34 -19780 -2066 26618 274 1574 7705 -2009 223 6646 4173 -2071 8432 7833 -4246 6067 5223 4759 -3321 3097 -11 -965 -165 8123 1479 -2846 3155 6840 5639 5301 2669 -2876 -2222 -909 2239 5308 2943 2104 808 -1540 474 247 2924 1505 -915 2447 60 -1806 -1367 -1264 -2245 -1142 -1993 -3222 -1636 -2234 -1984 -698 -1199 103 -378 602 649 417 35 -833 -749 -1255 -1753 1437 785 -84 835 380 -855 -1916 -972 -1427 -1783 -1686 -561 644 850 1273 610 714 -4 -386 -84 1075 -495 362 786 1037 1013 882 1399 491 520 -499 50 -509 664 -24 -941 -595 -938 -112 -323 -305 35 708 -132 530 45 -403 -498 -9243 -578 900000 534 -1397 -2997 -24 -824 -2497 52 -615 88 180 915 576 -181 -315 208 -535 -1431 450 237 -382 -427 -631 -447 -3 -1795 -155 1563 23 152 785 -238 26 715 500 -308 1351 1483 -1015 1403 1277 1202 -924 821 -3 -273 -48 2251 431 -946 1070 2393 2098 2044 1078 -1227 -928 -375 928 2320 1458 1142 457 -866 254 135 1677 901 -613 1656 41 -1212 -921 -772 -1291 -646 -1232 -2117 -1211 -1862 -1791 -611 -1127 101 -394 639 686 425 34 -811 -694 -1180 -1661 1488 929 -104 1086 493 -1058 -2378 -1129 -1691 -2253 -2092 -727 877 1246 1886 975 1174 -6 -601 -122 1596 -750 529 1211 1657 1625 1386 2119 719 781 -726 70 -750 983 -38 -1657 -1028 -1694 -211 -646 -601 71 1436 -268 1034 90 -771 -941 SS 20250518T113525.3Z 9269.482932 232 1 51.08 2 71.47 79.38 68.50 207.02 0.00 1 0.00 1 0 17 1.937e-01 1.192e-02 5.566e-02 2.692e-03 4.572738e-01 1.428077e-03 5.380313e-03 -6.000000e+00 1.173722e-01 231.35 -2.00 3.48 -2.00 319.37 0.00e+00 2.430322e-03 3.901313e-04 1.714299e-03 -6.000000e+00 5.186150e-03 284.89 -2.00 20.00 -2.00 318.63 0.00e+00 3.106 0.000 302.00 328.00 3 4.4301e+00 4.0584e-03 3.9649e-02 -6.0000e+00 2.9354e-01 2.6267e-02 4.7434e-03 2.4758e-02 -6.0000e+00 3.1761e-01 -2.7913e-02 3.5292e-03 1.2392e-02 -6.0000e+00 1.8908e-01 7.8076e-03 1.8194e-03 3.6399e-03 -6.0000e+00 7.8199e-02 1.5943e-04 3.9671e-05 8.3775e-05 5.1701e-05 -6.0000e+00 6.0009e-03 6.6201e-03 -6.1571e-06 12 9 8 11 32 0 -15.99 23.66 0.61 0.00662 0.00692 19 3 1 5 0 2688.120 26.32 20.01 23.66 29.72 6.2 1038.19 -128513 -30405 125823 54907 -32308 -79972 11261 -13341 -56648 -22923 -25633 1288 -945 30329 -4575 2536 -11105 -8445 -10214 -16494 1377 8036 5262 -6481 1718 2170 -774 -11925 -6891 16725 -6004 -1788 2795 -625 -4194 2855 -2721 -5804 6929 4097 -4014 5712 1861 3903 -1366 2811 2896 840 982 2660 1467 -217 305 5484 3475 4150 -230 -596 -1373 -834 1312 4404 3375 1895 995 184 863 -1354 2099 483 433 1734 -767 -614 -1126 -1036 -2350 -515 -3160 -3080 -1315 -2313 -1903 -1557 -854 228 20 44 1016 1041 327 -892 -1139 -1261 -1338 1012 954 176 1168 237 -1064 -1870 -985 -1002 -1316 -1183 -616 581 499 937 1062 534 91 -590 -266 940 176 200 271 285 891 966 1246 448 679 -611 -28 -489 458 -4 -954 -586 -321 -276 31 -250 28 640 308 456 -320 -616 -547 -6687 -682 694 606 -797 -3087 183 -308 -2246 -698 -841 35 -31 884 -227 136 -755 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