File name: Pandora64s1_NewHavenCT_20230915_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230918T115348.8Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230915_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: 20230915 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 20230915T112352.4Z 8658.474912 62 1 47.44 2 81.08 93.84 85.47 90.08 0.00 1 0.00 1 0 25 3.642e-01 2.845e-02 1.543e-01 8.508e-03 6.982374e-01 4.862238e-03 8.944835e-03 -6.000000e+00 2.209255e-01 229.25 -2.00 3.52 -2.00 321.32 0.00e+00 7.247332e-03 2.306317e-03 6.547357e-03 -6.000000e+00 9.918330e-03 287.68 -2.00 20.00 -2.00 320.70 0.00e+00 6.098 0.004 302.00 328.00 3 2.7469e+00 1.6734e-02 7.7452e-02 -6.0000e+00 5.4965e-01 5.6824e-01 2.0972e-02 5.3087e-02 -6.0000e+00 5.9358e-01 -7.6390e-01 1.6000e-02 2.3461e-02 -6.0000e+00 3.5420e-01 3.1723e-01 7.7419e-03 5.5038e-03 -6.0000e+00 1.5048e-01 3.6102e-05 -2.9545e-03 2.5288e-04 1.5484e-04 -6.0000e+00 1.0838e-02 3.3763e-03 -3.7679e-04 12 8 8 10 0 0 99.85 21.42 0.18 0.00338 -0.01883 25 6 1 5 0 1897.200 26.00 20.00 21.42 19.92 37.8 993.91 -99895 -29890 -66491 -112042 -134346 -113483 -97599 -156123 39443 -112874 -78148 -64431 -51380 -66617 27073 -68484 -26486 19517 -31329 -8514 6686 76043 60077 23233 12193 12997 -14960 -49351 43489 -96097 7274 22982 16314 18488 14182 15908 28365 3382 32574 7819 48277 27031 49395 -2904 19356 19105 55239 13158 32407 -10912 26360 45225 28717 8116 30693 11190 13640 5199 24152 14014 10715 9564 18517 20385 28119 8467 8605 16131 8492 8772 7476 11766 3298 3749 -4487 219 13957 -3135 -6767 4135 -3339 -3273 -3348 -1902 -2989 -1917 -1920 420 -1477 3386 -3840 911 -8349 -4052 -4091 -637 -4228 -525 -727 -2232 -4404 -1833 -5768 -1051 -2470 -4361 -3345 3093 -1875 864 1084 117 25 1071 446 -756 674 -417 991 842 1680 1964 1291 2660 3536 1414 -932 1431 1658 1417 733 -356 -538 150 447 -151 -456 109 570 -350 -1337 -2236 -3315 -558 -1793 -3991 -5376 -3600 -2884 -8228 349 -4131 -2228 -1904 -1678 -2958 604 -4244 -1163 617 -1590 -371 243 1430 1277 735 436 465 -690 -2914 1105 -10504 358 1096 930 1026 772 883 1544 259 2194 763 3369 2440 3688 -367 1984 1995 4097 1547 3289 -1740 3409 5274 4246 1485 4868 2083 2483 1002 3960 2558 2025 2036 4045 4801 6195 2220 2308 4208 2697 3109 2836 4327 1263 1329 -1561 67 3634 -1030 -2685 1732 -1640 -1813 -1989 -1182 -2012 -1343 -1397 301 -1066 2207 -2523 548 -5493 -2771 -3213 -560 -4197 -566 -821 -2483 -4663 -1714 -5342 -974 -2480 -4671 -3819 3589 -2549 1218 1662 187 40 1625 653 -1103 1002 -656 1621 1397 2695 3021 1947 3990 5112 2031 -1366 2141 2806 2668 1445 -751 -1205 357 1078 -379 -1159 278 1419 -832 -3176 -5091 SS 20230915T113428.0Z 8658.482269 67 1 11.67 2 79.09 95.62 83.55 91.82 0.00 1 0.00 1 0 25 4.319e-01 1.886e-02 3.162e-01 1.125e-02 6.130285e-01 6.409361e-03 7.864215e-03 -6.000000e+00 2.672980e-01 229.25 -2.00 3.52 -2.00 320.71 0.00e+00 1.684107e-03 2.766160e-03 5.808156e-03 -6.000000e+00 1.309709e-02 287.68 -2.00 20.00 -2.00 320.07 0.00e+00 5.090 0.002 302.00 328.00 3 3.2260e+00 2.0710e-02 6.5899e-02 -6.0000e+00 6.6944e-01 1.3344e-01 2.6713e-02 4.8337e-02 -6.0000e+00 7.2433e-01 -1.3178e-01 2.3732e-02 2.0580e-02 -6.0000e+00 4.2708e-01 4.4399e-02 1.1593e-02 4.7332e-03 -6.0000e+00 1.8124e-01 6.7436e-05 2.9105e-03 3.4651e-04 1.0729e-04 -6.0000e+00 1.2914e-02 -9.1762e-03 5.5716e-04 12 9 9 12 1 1 98.74 21.41 0.08 -0.00918 0.01269 4 5 1 5 0 2332.120 26.00 20.00 21.41 20.16 37.7 995.21 -216255 -67005 -81228 -52487 29483 900000 -182774 -126230 900000 900000 -28048 900000 -145861 27914 -53102 76356 40951 900000 -32759 16026 12147 213732 -32029 142262 5789 145165 -25820 -30084 -18079 -49603 -2746 -758 24937 16962 -14331 15721 7931 9501 21871 818 15352 -4254 6445 -20531 -7737 10612 14490 309 7024 -14887 7402 12032 8053 8148 8264 -2981 4885 3820 12461 1153 8796 1438 6718 3032 12910 -2071 7859 -397 5709 -833 3554 -1092 4998 -1322 2828 -242 5226 -4382 1287 1320 -3496 -6472 -764 -3103 -793 -1447 -118 -627 4552 47 -2175 -593 -3538 -2209 574 1518 -778 1633 -970 -846 -249 -756 -4396 -398 -759 -1235 -1892 2269 -1531 1477 522 652 -654 627 -936 -29 -336 -638 527 1371 -230 1984 386 1707 1249 -362 -1212 1547 697 614 -691 -554 -741 -610 756 1128 -320 962 -14 -188 -817 -1516 -6984 -734 -890 -575 323 900000 -5060 -2382 900000 900000 -307 900000 -6141 306 -1422 837 581 900000 -1077 341 274 2342 -1228 1559 176 1591 -1132 -1337 -726 -2889 -125 -37 1123 847 -893 814 480 679 1678 86 1603 -545 777 -3285 -1111 1297 1739 45 993 -2838 1265 2162 1637 1790 1893 -757 1170 959 2813 294 2207 411 2037 1044 4062 -737 2583 -149 2273 -381 1657 -545 2378 -630 1178 -95 1895 -1834 585 668 -2125 -4561 -545 -2305 -619 -1199 -101 -543 3693 38 -1673 -448 -2712 -1711 490 1469 -838 1918 -1166 -1024 -279 -776 -4490 -412 -841 -1436 -2371 2813 -2172 2159 831 1057 -1057 956 -1380 -43 -497 -991 854 2237 -373 3039 585 2541 1811 -517 -1730 2339 1144 1066 -1312 -1064 -1504 -1271 1655 2538 -742 2231 -32 -412 -1715 -3177 SS 20230915T113858.5Z 8658.485399 70 1 6.72 2 78.25 96.38 82.74 92.56 0.00 1 0.00 1 0 25 2.775e-01 1.228e-02 1.537e-01 5.642e-03 5.744186e-01 3.115500e-03 6.984556e-03 -6.000000e+00 1.686222e-01 229.25 -2.00 3.52 -2.00 320.32 0.00e+00 3.910248e-03 1.173480e-03 2.741853e-03 -6.000000e+00 7.552637e-03 287.68 -2.00 20.00 -2.00 319.63 0.00e+00 4.754 0.002 302.00 328.00 3 2.0280e+00 9.5457e-03 5.7343e-02 -6.0000e+00 4.1956e-01 7.1763e-02 1.1874e-02 3.3419e-02 -6.0000e+00 4.5280e-01 -6.8819e-02 1.0271e-02 1.7087e-02 -6.0000e+00 2.7022e-01 2.1530e-02 5.1737e-03 5.0809e-03 -6.0000e+00 1.1502e-01 3.2324e-04 -6.9340e-04 1.6936e-04 8.4989e-05 -6.0000e+00 8.2568e-03 -1.6178e-03 -7.7115e-05 12 9 9 12 1 1 97.30 21.41 0.12 -0.00162 -0.00683 10 19 1 5 0 609.710 26.00 20.00 21.41 20.35 37.8 995.92 -130392 -80775 -51671 -95482 -198759 -105055 -18427 -49769 -27880 -24038 30548 -64338 -4131 -31548 6375 -21621 10514 -1821 25320 -9223 20109 -3756 33120 -25223 18668 -12778 8772 -17968 19261 -33575 21598 -18549 13859 -8465 6677 -11577 4606 -10257 6230 -4968 4030 60 9751 -3039 6270 -1032 4344 -1946 4322 -2382 7462 2848 3903 -1377 126 3088 754 262 -849 2285 1806 4553 5829 4286 3554 963 1440 738 1074 2209 943 1689 -1069 31 -903 639 -1389 97 -2482 131 -2031 -563 -1938 -1492 -926 598 -50 511 -313 387 -741 956 -1500 -522 -1230 795 -595 1146 -28 -1254 -475 -2160 -2307 -282 -115 -1284 -557 -1002 -137 357 1154 418 556 37 -188 21 514 33 783 380 484 127 1070 -39 1063 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