File name: Pandora55s1_QueensNY_20240508_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T135528.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 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_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240508_L1_smca1c18d20230426p1-8.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: 20240508 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 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20240508T112430.5Z 8894.475353 84 1 24.40 2 72.73 81.78 73.84 75.97 0.00 1 0.00 1 0 25 3.435e-01 1.412e-02 1.068e-01 4.165e-03 4.811895e-01 2.209827e-03 5.631940e-03 -6.000000e+00 2.059212e-01 230.60 -2.00 3.51 -2.00 319.45 0.00e+00 1.769215e-03 6.117909e-04 4.496993e-04 -6.000000e+00 9.133092e-03 282.98 -2.00 20.00 -2.00 318.76 0.00e+00 3.319 0.001 302.00 328.00 3 3.8722e+00 6.2560e-03 4.1978e-02 -6.0000e+00 5.1461e-01 2.9456e-02 7.3376e-03 2.5779e-02 -6.0000e+00 5.5631e-01 -3.0409e-02 5.6806e-03 1.2487e-02 -6.0000e+00 3.3122e-01 1.0328e-02 2.9487e-03 3.9615e-03 -6.0000e+00 1.3897e-01 2.2052e-04 -1.3213e-03 1.2620e-04 4.4292e-05 -6.0000e+00 1.0261e-02 1.5847e-03 0.0000e+00 12 9 9 12 41 1 99.87 22.78 0.18 0.00158 -0.00834 9 4 1 5 0 2438.790 26.11 20.00 22.78 22.94 36.9 1089.91 -92728 -84124 900000 -93488 29745 43169 -52586 321685 53683 -25821 -48084 -40851 -38258 14763 -5636 9814 -34564 13379 50069 63852 -20698 19250 6152 -24245 -4358 -6236 83188 -3268 -2083 -19373 -3076 1676 771 -25 1568 -5378 -7249 -4215 4076 8400 -5440 5601 -7926 -1733 -2495 11690 -4437 8363 2563 6088 -793 -622 -1113 8386 7377 1403 7247 -444 4301 -410 845 4913 2067 -2426 2615 -2551 2064 -634 745 2493 -839 1228 967 -1780 -1171 -1251 1852 2694 225 -1649 -1892 1416 -1463 -1738 -1357 -1364 -2613 -1436 -1711 -251 -314 301 560 1505 587 1231 -984 -81 -63 -120 100 -835 118 815 1143 -936 -593 -708 -112 1038 162 -1525 426 243 -572 594 483 1178 421 -247 -1621 763 805 -557 122 559 -431 994 1867 2 860 752 -82 702 771 -803 299 -305 -129 -867 -577 -18 -486 56 -3116 -3048 900000 -4035 391 478 -1448 1307 689 -748 -1796 -1523 -1590 451 -249 441 -2613 704 2012 2388 -1753 1152 423 -2325 -373 -576 3464 -300 -185 -2013 -294 173 91 -3 203 -727 -1025 -649 688 1610 -1340 1362 -2282 -489 -717 3014 -1327 2257 738 1747 -254 -214 -417 3094 2903 603 3068 -203 1881 -184 377 2201 1023 -1350 1484 -1532 1159 -356 423 1510 -572 876 709 -1327 -835 -840 1128 1542 132 -1051 -1353 1091 -1251 -1577 -1283 -1354 -2739 -1548 -1883 -273 -332 302 533 1371 544 1207 -1067 -95 -80 -159 132 -1066 142 936 1321 -1143 -754 -933 -153 1473 244 -2442 691 391 -901 894 704 1710 628 -384 -2620 1226 1277 -873 186 829 -627 1398 2642 3 1368 1254 -142 1240 1404 -1530 584 -611 -259 -1760 -1157 -35 -918 104 SS 20240508T125906.8Z 8894.541051 140 1 27.45 2 54.85 97.25 56.47 89.61 0.00 1 0.00 1 0 25 1.585e-02 7.006e-03 3.457e-03 1.544e-03 2.614129e-01 8.138073e-04 3.156826e-03 -6.000000e+00 9.501156e-03 230.60 -2.00 3.51 -2.00 316.41 0.00e+00 -2.988156e-04 9.422774e-05 4.682899e-05 -6.000000e+00 4.163967e-04 282.99 -2.00 20.00 -2.00 315.70 0.00e+00 1.732 0.000 302.00 328.00 3 4.1159e+00 2.1289e-03 2.2137e-02 -6.0000e+00 2.3744e-02 1.4553e-02 2.3725e-03 1.3591e-02 -6.0000e+00 2.5667e-02 2.6639e-04 1.3717e-03 6.6331e-03 -6.0000e+00 1.5273e-02 -2.4026e-03 6.3316e-04 1.8351e-03 -6.0000e+00 6.3864e-03 1.0978e-03 -3.7917e-04 4.7338e-05 2.4394e-05 -6.0000e+00 4.7307e-04 4.5596e-04 0.0000e+00 12 9 1 12 1 1 99.80 22.77 0.24 0.00046 -0.00239 19 7 1 5 0 1372.270 26.11 20.00 22.77 23.33 37.0 1092.74 -3742 -6946 4099 -8378 -1540 -567 -422 5098 1384 -853 -2047 -225 -2156 -4717 2927 1554 -2034 4394 2544 1599 -1008 830 1718 -1136 661 -760 3116 -1134 -52 -68 1327 2290 542 -1960 -1223 2285 -1018 88 240 116 -1697 -336 -1526 -1566 -680 -33 -1799 -118 -417 140 571 404 114 1233 640 304 1411 539 1088 935 967 1498 1191 158 -389 -185 80 -113 1052 1076 38 250 -268 -718 -236 -487 226 1013 1185 -144 -461 -352 -1612 -1070 -1201 -798 -717 -647 -625 -373 -170 165 227 953 1177 944 882 513 -400 -620 -365 -408 -223 970 174 -747 -447 -677 100 341 -110 -538 -34 -205 -203 406 623 1027 481 -34 -673 -368 -29 -93 101 226 231 1230 1060 409 637 348 405 245 18 -277 -53 234 -516 -523 -312 -234 -355 -32 -608 -1276 710 -1579 -256 -88 -66 830 256 -171 -422 -46 -480 -1189 771 450 -638 1355 822 535 -352 289 596 -415 249 -301 1209 -444 -19 -24 477 859 219 -836 -518 917 -425 40 122 66 -1066 -220 -1033 -1076 -465 -23 -1232 -79 -276 91 379 279 82 914 490 238 1117 431 864 737 765 1211 1010 141 -358 -168 70 -95 875 939 36 245 -269 -720 -231 -456 198 836 962 -122 -419 -341 -1662 -1142 -1324 -912 -852 -791 -777 -462 -206 191 249 998 1218 1009 997 616 -509 -813 -476 -514 -268 1135 208 -933 -576 -898 135 475 -158 -798 -50 -300 -287 548 813 1332 639 -47 -964 -534 -41 -132 140 307 305 1575 1358 541 874 493 584 357 26 -425 -84 376 -840 -855 -506 -374 -554 -50 SS 20240508T130426.4Z 8894.544750 143 1 49.95 2 53.85 98.21 55.48 90.43 0.00 1 0.00 1 0 25 4.244e-02 1.140e-02 6.090e-03 2.294e-03 2.516079e-01 1.204939e-03 3.015066e-03 -6.000000e+00 2.544536e-02 230.61 -2.00 3.51 -2.00 316.84 0.00e+00 -1.716556e-04 1.548013e-04 5.992335e-05 -6.000000e+00 1.115331e-03 282.99 -2.00 20.00 -2.00 316.12 0.00e+00 1.691 0.000 302.00 328.00 3 5.4202e+00 3.1718e-03 2.1475e-02 -6.0000e+00 6.3589e-02 4.8848e-03 3.5448e-03 1.3068e-02 -6.0000e+00 6.8743e-02 6.3107e-03 2.0729e-03 6.3755e-03 -6.0000e+00 4.0904e-02 -5.5212e-04 9.7608e-04 1.7588e-03 -6.0000e+00 1.7100e-02 3.1556e-04 -3.8151e-04 7.1084e-05 2.2651e-05 -6.0000e+00 1.2672e-03 1.8590e-03 0.0000e+00 12 9 8 11 40 0 99.99 22.77 0.36 0.00186 -0.00101 20 4 1 5 0 2496.880 26.11 20.02 22.77 23.58 37.0 1093.80 -7028 -11464 26147 -13790 1735 9874 -3397 17746 3373 -341 -5938 -2920 -6642 -15971 9912 -771 -6125 -1132 9673 5689 -2868 735 3186 -3929 849 -1527 10318 -730 -965 -1664 -373 1884 278 -2107 -778 8876 -2358 -2551 1886 1618 -2633 1086 -3119 -1205 -737 1969 -2542 803 -447 1249 -80 40 -1065 3347 1921 727 2425 56 1548 747 1116 2626 1319 -1571 348 -1180 360 -716 845 636 -85 -21 43 -1728 1089 -843 269 2180 312 -892 -1582 792 -1288 -903 -1917 -646 -1240 -529 -835 -452 -151 -447 510 973 634 544 270 658 -252 -398 -457 -606 -290 1166 583 -436 -143 -797 199 1068 446 -545 317 -449 -287 109 317 1195 573 3 -1372 -703 449 762 109 105 -43 1213 344 -113 898 435 454 260 445 -194 208 332 -232 -800 -261 -655 -257 -256 -981 -1838 3094 -2281 232 1150 -453 2122 511 -57 -1061 -515 -1289 -3756 2084 -195 -1717 -314 2525 1588 -881 222 949 -1282 280 -535 3303 -250 -316 -527 -118 616 99 -792 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