File name: Pandora177s1_WestportCT_20240215_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240313T184347.6Z 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: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20240215_L1_smca1c3d20221101p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20240215 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20240215T131249.7Z 8811.550575 76 1 25.60 2 76.28 120.95 105.88 49.19 0.00 1 0.00 1 0 17 3.572e-01 2.075e-02 2.688e-01 1.266e-02 5.939034e-01 7.006809e-03 7.840007e-03 -6.000000e+00 2.135459e-01 224.89 -2.00 3.51 -2.00 321.01 0.00e+00 1.389226e-02 2.908643e-03 4.543526e-03 -6.000000e+00 9.200693e-03 275.13 -2.00 20.00 -2.00 320.53 0.00e+00 4.119 0.001 302.00 328.00 3 3.9324e+00 2.2001e-02 5.2642e-02 -6.0000e+00 5.2804e-01 2.6489e-01 2.7361e-02 3.2532e-02 -6.0000e+00 5.7271e-01 -3.7189e-01 2.4808e-02 2.5412e-02 -6.0000e+00 3.4040e-01 1.5453e-01 1.2315e-02 1.5610e-02 -6.0000e+00 1.4480e-01 8.1868e-05 -5.5714e-04 3.9738e-04 2.6273e-04 -6.0000e+00 1.0872e-02 7.0626e-02 -3.2083e-04 12 9 9 12 1 1 93.39 23.03 0.18 0.07063 0.06644 7 3 1 5 0 3199.710 26.41 20.02 23.03 -2.35 21.7 842.80 -109987 -85981 32514 -132587 -113203 -147536 -145935 -115436 -54603 -111484 -56951 -18208 20627 -90052 -22218 -69387 -13629 -36669 41338 -44439 -19381 -5764 -18836 -31772 -21700 -16192 6646 5016 -5375 118849 -38159 -16351 -15752 196 28327 332 24948 11879 38391 -3010 338 6376 26331 9384 4803 23549 4411 22530 6871 16337 25905 26364 1007 7944 7002 -2731 10775 5574 8244 12270 10745 9637 6005 11630 8814 8932 2422 5237 -573 6569 1406 3553 -2424 -4550 -4927 -8029 -2492 -7859 -3759 1900 -4646 -5840 -1311 -233 -3110 17 184 2355 2602 2291 -1078 -2029 -3111 -2464 -505 -2502 1432 1327 -435 295 -1408 -4014 -1199 1553 -4216 -4215 -1881 -49 1536 863 1437 -828 -165 -233 90 -430 -2103 300 954 335 1705 2576 2313 2406 1670 -618 -1166 1977 -1563 311 -389 -838 528 -44 -81 860 732 921 -562 -707 -825 -1235 900000 -2636 -1811 401 -4236 -2713 -4714 -4663 -2850 -753 -2752 -868 -225 255 -3858 -597 -3476 -435 -1598 925 -2259 -760 -205 -756 -1471 -921 -650 210 163 -203 1467 -2708 -1097 -1155 12 1311 20 1328 843 2429 -323 38 718 2539 1108 611 2562 599 2642 986 2281 3597 3987 211 1624 1486 -647 2220 1187 1685 2452 2338 2372 1719 3410 2713 2681 766 1693 -218 2590 621 1557 -1090 -1948 -1927 -2961 -840 -2953 -1549 866 -2595 -3663 -846 -158 -2296 13 145 1842 1993 1681 -765 -1365 -2079 -1737 -395 -2305 1449 1493 -523 345 -1539 -4103 -1144 1485 -4530 -4800 -2217 -61 2080 1298 2307 -1396 -271 -365 135 -631 -3204 470 1556 562 2779 4014 3484 3499 2356 -859 -1630 2871 -2626 567 -767 -1746 1144 -102 -186 2028 1762 2220 -1353 -1735 -1911 -2740 900000 SS 20240215T133521.3Z 8811.566219 82 1 49.23 2 72.72 125.30 102.63 53.32 0.00 1 0.00 1 0 25 1.832e-01 1.060e-02 1.145e-01 5.077e-03 4.931997e-01 2.769466e-03 6.199924e-03 -6.000000e+00 1.095820e-01 224.89 -2.00 3.51 -2.00 320.49 0.00e+00 4.426380e-03 1.001593e-03 3.363365e-03 -6.000000e+00 4.720233e-03 275.14 -2.00 20.00 -2.00 319.98 0.00e+00 3.319 0.001 302.00 328.00 3 3.9955e+00 8.2794e-03 4.3277e-02 -6.0000e+00 2.7097e-01 1.8204e-02 1.0244e-02 2.9200e-02 -6.0000e+00 2.9382e-01 -2.7482e-02 9.4626e-03 1.8856e-02 -6.0000e+00 1.7463e-01 -2.3336e-03 4.7911e-03 8.0966e-03 -6.0000e+00 7.4332e-02 1.9683e-04 8.7132e-04 1.6602e-04 1.2487e-04 -6.0000e+00 5.5726e-03 7.0090e-02 -1.6603e-04 12 8 8 10 0 0 99.48 23.02 0.30 0.07009 0.07664 24 6 1 5 0 2051.140 26.41 20.01 23.02 -1.58 21.8 848.43 -68107 -50651 -64004 -66588 -49165 -22001 -37559 -88197 -39321 -89638 -48826 -25079 -39008 -11533 -4145 -23446 -21723 -3991 -10225 11188 -3428 6600 953 -21736 291 -4359 -16725 -10441 -5554 11797 2508 7216 10335 -12781 -6820 -4769 4705 -7409 -5111 -1034 -224 2758 2723 3996 360 3167 -1284 447 -575 2988 3850 3502 4553 2082 -689 2505 -1920 -1791 410 1607 1447 4739 7132 2926 80 -13 -866 -1440 1146 1878 3540 3025 -24 -698 -1020 -2711 -2632 -3543 -2702 -1566 -1788 -1646 -2935 -321 494 516 879 1142 699 1465 -629 -1201 -2276 -441 -1056 83 884 1153 117 -639 -1133 -1367 139 55 -1919 -2219 -1183 -437 1359 967 1096 391 -414 -1287 66 -96 -129 640 931 528 691 916 1078 766 387 -516 -253 540 -213 -989 -1168 -1238 -625 132 22 503 510 718 366 238 -244 -1247 900000 -948 -702 -1035 -1055 -617 -211 -459 -2009 -597 -2367 -919 -430 -953 -266 -107 -836 -839 -140 -405 373 -135 237 38 -1155 13 -211 -911 -527 -271 526 142 448 679 -1076 -531 -375 380 -812 -651 -144 -34 431 442 656 62 542 -233 82 -110 587 820 819 1136 563 -199 723 -584 -539 119 467 448 1569 2549 1165 33 -5 -341 -597 516 935 1853 1623 -13 -356 -477 -1261 -1168 -1645 -1395 -861 -1121 -1138 -2208 -250 406 450 798 1047 631 1251 -511 -916 -1707 -340 -912 81 959 1369 147 -783 -1287 -1431 139 58 -2169 -2662 -1482 -580 1929 1500 1800 656 -682 -2019 96 -138 -188 974 1487 870 1127 1446 1638 1127 548 -708 -344 773 -338 -1732 -2175 -2407 -1267 282 49 1169 1212 1713 866 543 -532 -2639 900000 SS 20240215T135504.4Z 8811.579912 93 1 50.21 2 69.76 129.30 99.65 56.77 0.00 1 0.00 1 0 25 1.389e-01 1.123e-02 1.360e-01 6.383e-03 4.267940e-01 3.441269e-03 5.412567e-03 -6.000000e+00 8.311376e-02 224.89 -2.00 3.51 -2.00 320.02 0.00e+00 4.028182e-03 1.068170e-03 2.634063e-03 -6.000000e+00 3.641776e-03 275.14 -2.00 20.00 -2.00 319.48 0.00e+00 2.861 0.000 302.00 328.00 3 4.8311e+00 9.8753e-03 3.6936e-02 -6.0000e+00 2.0545e-01 7.6374e-03 1.1801e-02 2.4232e-02 -6.0000e+00 2.2280e-01 -8.0438e-03 1.0127e-02 1.5053e-02 -6.0000e+00 1.3240e-01 -9.0978e-03 5.2486e-03 6.3260e-03 -6.0000e+00 5.6457e-02 1.4304e-04 8.7348e-04 2.1084e-04 8.8040e-05 -6.0000e+00 4.2705e-03 7.0149e-02 -1.6668e-04 12 9 8 11 8 0 99.43 23.01 0.46 0.07015 0.07671 16 4 1 5 0 3137.540 26.41 20.02 23.01 -0.70 21.9 855.12 -46881 48429 -11326 900000 -62222 64890 -23481 -21642 6306 -59970 -11212 -30326 6430 -12088 64261 18268 20792 3855 -6630 -795 -16116 12829 -21303 4294 -11195 -6137 -11473 -7482 -1315 -15076 8405 -12239 3126 -5187 -4850 -6899 -4182 -253 -4041 -144 -3842 2233 1425 6065 -5476 1304 4160 -1800 945 -189 6369 931 2623 4356 2223 2241 455 -2688 -5063 1148 2664 3214 3029 5764 12 208 -1684 -1367 4279 521 3455 1003 1199 -1845 -1737 40 -1961 -254 -3229 831 -2636 177 -3688 -974 114 -1017 710 139 2107 70 1180 -927 -599 -270 -334 94 -245 1163 -329 -62 -2945 -1471 -1027 -30 -1255 -1374 -1119 -1118 1215 963 617 1118 161 -646 809 -143 -529 520 752 1332 336 621 1423 374 229 -1173 -84 288 -352 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