File name: Pandora55s1_QueensNY_20230723_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240123T141759.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230723_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230723 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 --------------------------------------------------------------------------------------- SU 20230723T112815.3Z 8604.477955 94 1 50.46 2 72.20 78.52 127.89 47.11 0.00 1 0.00 1 0 17 7.360e-01 7.562e-02 7.868e-02 3.433e-03 3.908997e-01 1.818875e-03 6.988001e-03 -6.000000e+00 4.484686e-01 232.62 -2.00 3.51 -2.00 319.03 0.00e+00 4.799165e-02 4.433740e-04 4.410181e-03 -6.000000e+00 2.023389e-02 289.77 -2.00 20.00 -2.00 318.24 0.00e+00 3.225 0.001 302.00 328.00 3 4.1145e+00 5.0717e-03 3.8898e-02 -6.0000e+00 1.1248e+00 4.9642e-01 5.7088e-03 3.9004e-02 -6.0000e+00 1.2138e+00 -7.1177e-01 3.4696e-03 2.2426e-02 -6.0000e+00 7.2046e-01 3.5120e-01 1.8444e-03 3.1918e-02 -6.0000e+00 3.0380e-01 1.7232e-04 -1.0990e-03 1.0021e-04 4.3083e-04 -6.0000e+00 2.2516e-02 1.2522e-02 0.0000e+00 12 9 8 11 4 0 -2.34 22.62 0.33 0.01252 0.00426 13 2 1 5 0 3880.550 26.00 20.01 22.62 30.98 36.0 1096.20 182929 900000 169491 259153 406011 169908 900000 172479 123169 69529 51155 50825 23505 252811 134711 111363 -88222 221954 205246 195616 132740 133938 60241 61627 33302 109901 28950 27911 46152 58879 80996 76618 60104 71503 95859 47006 42235 48417 35602 11948 18217 2933 8454 17618 36597 24072 48364 38921 40913 32679 25732 22048 31871 20701 9677 7905 -3768 -5649 -6710 -759 8185 7648 3922 13223 4159 14391 4726 5879 3998 -3231 -1298 -2683 -9649 -3830 -10202 -7632 -1862 -5626 -7653 -4172 1238 -2216 -3631 -9081 -6288 -9040 -7462 -7545 -4713 -4808 -5219 -4214 -5003 -5978 -5453 -5168 -1749 -668 214 1061 827 577 2397 12 -1861 -2230 -1665 47 2643 1792 -33 1391 212 -708 -742 978 2217 1970 2689 1566 3086 4698 5419 2952 2566 2001 3073 2344 2381 3564 3147 3003 1844 1000 -311 -339 -1424 -1725 -3020 -2230 -3000 -2273 -3404 7817 900000 8813 5210 1684 5331 900000 3754 3698 3064 2659 3196 2586 4384 8782 10381 -52420 8526 9424 9687 11072 9784 7471 6399 3949 5952 3297 3368 5229 6970 9348 10626 10383 10942 10894 7987 7641 8796 7675 3306 4918 947 2771 5691 10669 8248 13872 12348 12883 11290 9803 9058 12338 8840 4420 3533 -1782 -2641 -3184 -360 3911 4074 2370 7900 2708 8310 2819 3440 2499 -2296 -956 -2022 -7513 -2719 -7161 -4859 -1078 -3398 -5112 -3053 962 -1902 -3306 -8913 -6282 -9632 -8155 -8449 -5186 -5190 -5391 -4050 -4603 -5538 -5360 -5589 -2044 -843 282 1397 1047 689 2703 14 -2264 -2839 -2201 64 3728 2689 -53 2233 339 -1097 -1103 1393 3143 2887 4095 2494 4921 7341 8269 4458 3776 2867 4264 3293 3508 5527 5124 5035 3171 1771 -574 -644 -2766 -3392 -6004 -4351 -5730 -4191 -6194 SU 20230723T113340.9Z 8604.481723 97 1 49.16 2 71.19 79.34 127.17 48.49 0.00 1 0.00 1 0 17 1.399e-01 1.673e-02 2.705e-02 3.103e-03 4.127273e-01 1.654769e-03 4.784039e-03 -6.000000e+00 8.466723e-02 232.62 -2.00 3.51 -2.00 318.93 0.00e+00 2.062794e-03 3.900643e-04 2.245187e-04 -6.000000e+00 3.843971e-03 289.77 -2.00 20.00 -2.00 318.10 0.00e+00 3.063 0.000 302.00 328.00 3 4.2569e+00 4.6053e-03 3.7730e-02 -6.0000e+00 2.1215e-01 5.1296e-02 5.3193e-03 2.2115e-02 -6.0000e+00 2.2872e-01 -3.8460e-02 3.6778e-03 1.0647e-02 -6.0000e+00 1.3639e-01 1.2852e-02 1.8993e-03 3.7733e-03 -6.0000e+00 5.7824e-02 2.0920e-04 9.6486e-05 9.5767e-05 3.9540e-05 -6.0000e+00 4.2099e-03 7.5603e-03 0.0000e+00 12 9 8 11 36 0 11.65 22.62 0.37 0.00756 0.00829 14 3 1 5 0 3510.940 26.00 20.03 22.62 31.10 36.0 1096.72 -45770 900000 -65635 25779 15690 -8716 -6863 1556 -17190 -46322 -27194 -38676 32660 57734 1723 -27772 -44900 47897 33343 33582 10136 6369 -17906 1569 -7679 2605 -3581 -5454 5044 236 8035 565 -15066 327 28875 -8261 7701 2664 7121 -3692 7000 -6871 -197 -1623 6954 -5397 8496 3240 7277 929 -780 -789 9201 6355 1668 902 1635 4270 560 1209 5037 1216 -2457 2171 -4295 3993 -1725 1042 1993 -1844 1312 1751 -1644 3485 -371 801 -1560 -1160 -5210 -3051 1816 -694 -912 -2792 -1108 -2922 -836 -1514 36 -532 -291 44 1302 770 82 -933 -338 -595 -414 513 -965 70 1561 1158 -420 -172 -754 -5 1598 979 -1091 -227 -138 -796 148 515 1453 296 -96 -1223 71 1113 245 55 14 114 1114 267 778 973 336 875 435 495 -384 556 185 -213 -908 -765 -503 -401 -384 -2190 900000 -4050 639 404 -287 -243 57 -808 -2974 -1530 -2702 1382 2292 133 -3103 -6299 3021 2532 2629 1007 663 -2432 189 -1063 335 -482 -722 600 31 1083 91 -2998 57 3813 -1563 1405 597 1792 -1152 2151 -2490 -69 -587 2360 -2044 2864 1143 2530 354 -322 -349 3978 2948 833 466 847 2160 289 624 2610 697 -1559 1398 -2931 2467 -1079 646 1318 -1371 1013 1386 -1325 2609 -270 536 -1002 -740 -3641 -2322 1465 -616 -857 -2779 -1142 -3193 -935 -1733 40 -588 -307 44 1227 729 83 -1024 -401 -760 -550 677 -1236 85 1795 1352 -517 -220 -1003 -7 2268 1468 -1732 -365 -219 -1233 218 733 2050 431 -146 -1931 113 1737 378 83 20 163 1538 374 1133 1498 542 1451 739 864 -699 1037 354 -412 -1771 -1472 -946 -732 -690 SU 20230723T113852.7Z 8604.485333 100 1 51.28 2 70.22 80.13 126.47 49.78 0.00 1 0.00 1 0 17 2.298e-01 1.354e-02 6.212e-02 2.725e-03 4.017434e-01 1.454983e-03 4.680877e-03 -6.000000e+00 1.398675e-01 232.62 -2.00 3.51 -2.00 318.77 0.00e+00 9.654036e-04 3.309628e-04 3.967115e-04 -6.000000e+00 6.326058e-03 289.77 -2.00 20.00 -2.00 317.92 0.00e+00 2.922 0.000 302.00 328.00 3 4.2329e+00 4.0324e-03 3.6286e-02 -6.0000e+00 3.5100e-01 3.0601e-02 4.6448e-03 2.1559e-02 -6.0000e+00 3.7889e-01 -3.4619e-03 3.2250e-03 1.0259e-02 -6.0000e+00 2.2585e-01 -2.7667e-03 1.6746e-03 3.2057e-03 -6.0000e+00 9.5268e-02 2.4909e-04 4.2266e-04 8.4673e-05 3.4937e-05 -6.0000e+00 6.9200e-03 8.1368e-03 0.0000e+00 12 9 8 11 44 0 -37.09 22.62 0.36 0.00814 0.01131 16 3 1 5 0 3204.670 26.00 20.01 22.62 31.20 36.0 1097.44 -45429 900000 -44986 -2025 21910 -16094 231570 25262 5879 26417 -28035 -23637 12044 59227 2121 -19333 900000 40198 17985 24004 5246 6413 -16448 -3328 -3554 36810 -3068 -7987 -7421 1589 4838 -4811 -13510 -440 21583 -5864 -5973 1905 4297 -3264 1603 -6823 -4361 -910 3934 -3298 6042 1517 4354 -938 -1564 -2083 7198 4732 -1642 1605 765 2217 575 1775 3058 1505 -2348 2383 -4058 3045 -1875 1534 2198 -1647 757 1087 -2097 1942 -641 659 3241 -251 -3421 -2068 1678 -760 -340 -648 -1463 -1823 -361 -1161 2 -565 -34 873 943 1380 858 -82 244 -355 -452 -64 -1020 -150 1502 1322 -527 -223 -773 235 -237 620 -808 459 31 -651 -173 629 1346 454 -946 -1538 -432 480 979 -456 150 -110 640 1048 54 984 -761 606 442 802 195 262 204 -122 -749 -477 -372 -326 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