File name: Pandora32s1_GreenbeltMD_20230630_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20230705T085825.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20230630_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20230630 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 20230630T113630.0Z 8581.483680 152 1 48.53 2 70.93 75.19 142.74 284.98 0.00 1 0.00 1 0 25 4.766e-02 6.115e-03 2.060e-02 2.318e-03 4.088470e-01 1.191074e-03 4.756846e-03 -6.000000e+00 2.773762e-02 232.75 -2.00 3.47 -2.00 318.83 0.00e+00 8.580773e-04 2.666850e-04 3.844556e-04 -6.000000e+00 1.230428e-03 288.79 -2.00 20.00 -2.00 318.00 0.00e+00 3.024 0.000 302.00 328.00 3 4.0636e+00 3.3058e-03 3.6982e-02 -6.0000e+00 6.9633e-02 2.9897e-02 3.8050e-03 2.1478e-02 -6.0000e+00 7.5139e-02 -1.8675e-02 2.6612e-03 1.0457e-02 -6.0000e+00 4.4752e-02 3.6334e-03 1.3988e-03 2.9218e-03 -6.0000e+00 1.9019e-02 2.7201e-04 -3.3545e-04 6.5401e-05 3.0322e-05 -6.0000e+00 1.2707e-03 4.4974e-03 -6.0467e-05 10 0 0 10 0 0 8.46 22.14 0.57 0.00450 0.00198 23 5 1 5 0 2109.530 26.51 20.01 22.14 27.41 3.0 1012.62 73 -9938 -6274 -9705 -31343 -23840 -5460 -10295 1540 -12504 -13458 -19178 -10548 -8138 -4641 537 -5519 525 2421 -2744 2193 -411 980 1629 -1772 -2501 2774 -522 -2149 -5734 3084 -758 3895 -1760 -2906 -3183 -5933 -3135 -1433 1146 -1108 257 -318 2060 369 -370 915 1154 -31 323 -226 1366 1035 2169 1522 303 886 -546 201 -459 1608 1325 1905 1648 605 238 -631 231 238 1119 451 -48 -290 128 331 -347 -1325 -1254 -1382 -1048 -1535 -521 -1821 -1448 -480 -573 -274 543 689 643 107 825 -501 456 581 268 345 498 274 -196 -580 -1256 -717 -276 -1045 -994 -817 -396 5 694 418 415 303 276 534 124 159 -83 -134 51 -304 52 661 272 428 -61 150 466 235 333 -21 -281 -174 237 151 66 -99 -430 75 34 262 -113 -693 2 -343 -224 -355 -1295 -852 -168 -377 57 -583 -650 -1013 -583 -528 -349 44 -533 51 246 -308 244 -47 112 197 -240 -362 389 -73 -290 -792 420 -122 672 -318 -517 -591 -1095 -654 -358 335 -375 92 -120 775 142 -134 354 443 -12 128 -88 575 473 1049 780 162 487 -306 110 -248 864 764 1122 1069 415 158 -394 139 152 804 341 -39 -237 101 260 -248 -863 -775 -889 -764 -1208 -457 -1767 -1387 -484 -621 -315 606 773 749 117 827 -500 436 586 284 390 630 359 -262 -781 -1552 -863 -330 -1274 -1297 -1115 -535 7 1010 658 683 495 428 810 177 223 -120 -198 80 -488 82 1005 423 635 -88 202 660 338 500 -34 -478 -289 408 277 122 -188 -842 147 66 483 -209 -1241 SS 20230630T114152.3Z 8581.487411 155 1 49.27 2 69.92 75.94 143.71 286.13 0.00 1 0.00 1 0 25 3.481e-02 5.919e-03 1.340e-02 1.799e-03 3.921720e-01 9.259195e-04 4.554898e-03 -6.000000e+00 2.026196e-02 232.75 -2.00 3.47 -2.00 318.60 0.00e+00 6.112943e-04 1.947015e-04 3.036034e-04 -6.000000e+00 8.988004e-04 288.79 -2.00 20.00 -2.00 317.77 0.00e+00 2.881 0.000 302.00 328.00 3 3.7874e+00 2.5430e-03 3.5296e-02 -6.0000e+00 5.0866e-02 2.4011e-02 2.9070e-03 2.0537e-02 -6.0000e+00 5.4887e-02 -1.3037e-02 1.9691e-03 9.9633e-03 -6.0000e+00 3.2690e-02 6.2764e-04 1.0287e-03 2.7536e-03 -6.0000e+00 1.3893e-02 4.2091e-04 -2.6346e-04 5.0720e-05 2.8762e-05 -6.0000e+00 9.2823e-04 4.5457e-03 -5.4296e-05 10 0 0 10 0 0 71.43 22.17 0.47 0.00455 0.00257 34 8 1 5 0 1448.990 26.51 20.01 22.17 27.87 3.0 1016.13 -11646 -1486 -13324 -6167 -14313 -16298 1693 -11045 -8033 -11877 -10403 -11686 -387 -6933 -1985 -861 -4201 1501 -586 2626 1643 -4127 3641 -1242 2745 -247 993 -22 -2172 -3226 -117 -1281 4354 -1663 -2811 -3552 -2689 -1490 -33 728 -1209 -319 -1654 1673 653 -187 575 113 -491 -1263 363 1083 1077 1796 651 672 428 132 173 91 1692 837 2082 1783 1092 257 -417 -2 96 1504 311 -92 -100 -44 -83 -907 -782 -1065 -859 -1009 -1605 -991 -1967 -1295 -355 -538 42 311 785 878 710 577 -142 72 116 159 242 462 212 -304 -163 -1142 -1064 -110 -1368 -882 -739 -392 21 628 321 446 350 179 118 240 -42 164 117 -209 -268 178 258 377 614 158 34 558 138 126 212 -239 -388 285 170 227 16 -19 -44 -1 -23 -329 -627 -429 -58 -623 -265 -605 -655 65 -493 -398 -667 -589 -690 -23 -530 -172 -85 -470 169 -72 326 214 -571 473 -180 413 -41 165 -4 -339 -501 -19 -236 850 -340 -565 -687 -543 -346 -9 241 -426 -119 -654 654 259 -76 230 45 -197 -519 156 505 543 959 370 366 240 75 96 50 926 494 1340 1261 757 185 -281 -2 66 1084 253 -80 -88 -38 -66 -656 -546 -706 -590 -786 -1350 -874 -1909 -1318 -358 -584 48 370 938 1022 776 616 -141 69 116 168 288 580 276 -404 -216 -1397 -1270 -130 -1662 -1141 -1001 -527 30 910 502 728 565 275 177 336 -58 234 178 -322 -425 278 389 577 897 222 48 775 196 196 336 -398 -632 481 304 412 30 -36 -85 -2 -43 -598 -1104 SS 20230630T114742.1Z 8581.491460 158 1 48.09 2 68.82 76.76 144.75 287.42 0.00 1 0.00 1 0 17 2.677e-02 5.630e-03 1.023e-02 1.624e-03 3.730700e-01 8.306191e-04 4.350870e-03 -6.000000e+00 1.558191e-02 232.75 -2.00 3.47 -2.00 318.33 0.00e+00 7.761394e-04 1.613528e-04 2.519022e-04 -6.000000e+00 6.911269e-04 288.79 -2.00 20.00 -2.00 317.49 0.00e+00 2.741 0.000 302.00 328.00 3 3.7425e+00 2.2625e-03 3.3578e-02 -6.0000e+00 3.9117e-02 2.1381e-02 2.5722e-03 1.9515e-02 -6.0000e+00 4.2208e-02 -1.0934e-02 1.6918e-03 9.4465e-03 -6.0000e+00 2.5139e-02 6.3422e-04 8.8002e-04 2.6322e-03 -6.0000e+00 1.0685e-02 5.1642e-04 -1.3782e-04 4.5676e-05 2.7198e-05 -6.0000e+00 7.1369e-04 4.3305e-03 -3.2792e-05 10 0 0 10 0 0 68.23 22.21 0.42 0.00433 0.00329 37 9 1 5 0 1299.530 26.62 20.01 22.21 28.43 3.0 1019.24 -4213 -6735 -436 -4851 -9600 -18322 -10157 40 -5022 -4556 -6591 -10361 -287 -3195 384 -561 -1008 1866 2257 2618 -1442 -1069 2021 -2244 1620 33 1072 -1881 191 -4700 940 -3 4149 -697 -3344 -2097 -2925 -1904 -985 -147 -473 96 -793 17 -142 -67 27 518 -753 -813 359 904 691 952 413 1143 819 273 253 6 1100 1591 1823 1906 864 9 -1 -142 614 972 277 125 24 64 42 -662 -864 -1364 -1308 -907 -1258 -1068 -1474 -1705 -591 -317 -56 513 457 486 861 388 57 271 434 373 -37 528 321 -341 -415 -844 -739 -110 -861 -957 -960 -612 -103 444 501 421 249 442 283 -5 -169 -125 223 47 -119 -53 255 548 337 278 -50 552 283 426 278 -230 -325 116 17 -4 -164 126 233 -81 -111 -330 -514 -179 -340 -22 -253 -475 -920 -534 2 -293 -288 -434 -725 -20 -280 39 -65 -128 245 313 379 -226 -167 310 -380 284 6 204 -356 33 -846 170 -1 914 -159 -758 -488 -663 -495 -309 -55 -184 40 -344 8 -63 -30 12 227 -333 -364 168 459 379 516 236 669 494 167 152 4 653 1005 1266 1349 643 6 -1 -99 445 744 239 107 20 53 36 -506 -639 -957 -948 -691 -1103 -984 -1485 -1709 -623 -358 -64 600 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