File name: Pandora55s1_QueensNY_20231107_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T123754.2Z 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_20231107_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: 20231107 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 20231107T170133.1Z 8711.709411 413 1 13.23 2 57.32 186.44 64.57 261.72 0.00 1 0.00 1 0 17 1.163e-02 6.739e-03 3.947e-03 1.884e-03 2.430404e-01 9.719089e-04 2.988686e-03 -6.000000e+00 6.807880e-03 223.95 -2.00 3.51 -2.00 316.25 0.00e+00 -5.910630e-05 1.103573e-04 4.776812e-05 -6.000000e+00 3.038688e-04 281.50 -2.00 20.00 -2.00 315.59 0.00e+00 1.846 0.000 302.00 328.00 3 3.7514e+00 2.5041e-03 2.2096e-02 -6.0000e+00 1.6758e-02 6.9242e-05 2.8026e-03 1.2324e-02 -6.0000e+00 1.8204e-02 2.4946e-03 1.6229e-03 6.1292e-03 -6.0000e+00 1.0880e-02 -2.3507e-03 7.5313e-04 1.7463e-03 -6.0000e+00 4.6077e-03 1.4943e-03 -3.2324e-04 5.7966e-05 2.3888e-05 -6.0000e+00 3.4666e-04 -2.9463e-03 0.0000e+00 12 9 1 12 1 1 99.91 22.80 0.15 -0.00295 -0.00538 15 12 1 5 0 826.750 26.11 20.01 22.80 22.26 36.0 1026.86 -2574 -2701 -69 -6205 -3451 -83 -2006 2715 845 -1895 -653 -356 -786 -3580 2753 -485 -126 -120 2052 1658 252 1009 1118 624 -292 667 997 -468 -414 779 740 2781 1556 -1942 -982 1373 -323 -404 821 -498 -1221 -812 -1196 -1606 -357 -8 -1338 -144 -831 913 299 213 257 947 1037 869 1157 -58 1177 990 1674 1338 1322 112 -260 -665 157 -9 1349 999 -93 -173 -505 -781 -520 -87 -42 592 827 164 -251 -667 -1404 -1398 -1038 -809 -923 -806 -613 -473 58 -95 414 1161 1169 1122 861 903 -313 -377 -691 -321 -66 865 -117 -663 -356 -671 33 72 14 -253 -180 -334 -139 263 906 1005 501 26 -821 -137 -2 -194 281 37 565 1330 1006 235 594 -4 332 305 368 -374 -106 105 -352 -564 -286 -442 -269 24 -460 -530 -14 -1267 -644 -14 -350 491 171 -416 -144 -79 -186 -955 775 -152 -41 -40 704 586 91 368 410 236 -116 272 411 -191 -162 291 278 1076 645 -856 -427 572 -138 -187 425 -292 -780 -543 -823 -1126 -249 -6 -931 -98 -560 605 201 149 187 711 800 684 926 -47 943 788 1330 1094 1128 101 -241 -611 137 -7 1122 873 -87 -170 -508 -786 -509 -81 -37 492 674 138 -227 -646 -1443 -1491 -1141 -924 -1096 -987 -761 -586 70 -110 455 1214 1207 1195 970 1077 -396 -491 -898 -402 -80 1010 -140 -824 -458 -887 44 100 20 -374 -268 -488 -196 354 1174 1296 661 36 -1169 -198 -3 -277 391 50 743 1699 1285 310 813 -5 476 441 544 -572 -167 168 -570 -918 -462 -703 -419 36 SS 20231107T171119.5Z 8711.716198 419 1 52.05 2 57.57 189.20 66.39 263.35 0.00 1 0.00 1 0 17 1.165e-01 4.587e-02 5.979e-03 2.343e-03 2.367627e-01 1.200178e-03 3.071427e-03 -6.000000e+00 6.813517e-02 223.95 -2.00 3.51 -2.00 316.66 0.00e+00 7.485365e-03 1.511272e-04 7.148293e-04 -6.000000e+00 3.041614e-03 281.50 -2.00 20.00 -2.00 316.00 0.00e+00 1.858 0.000 302.00 328.00 3 5.4057e+00 3.1046e-03 2.2755e-02 -6.0000e+00 1.6772e-01 5.3592e-02 3.4758e-03 1.6686e-02 -6.0000e+00 1.8221e-01 -7.3914e-02 2.0157e-03 6.5687e-03 -6.0000e+00 1.0890e-01 4.3186e-02 9.6107e-04 6.3330e-03 -6.0000e+00 4.6101e-02 2.7497e-04 -5.4846e-04 7.2219e-05 5.9104e-05 -6.0000e+00 3.4706e-03 -6.4168e-04 0.0000e+00 12 9 8 11 8 0 99.98 22.78 0.49 -0.00064 -0.00476 15 3 1 5 0 3469.440 26.11 20.01 22.78 22.47 36.1 1027.64 21831 21423 61548 16648 28794 35410 21009 34897 16630 7500 1412 2736 1723 -5340 23614 13034 8595 -74287 25913 22656 21126 16361 13438 3644 4125 864 9879 -1225 -1172 1067 5808 11654 9012 5827 5780 14246 3038 1233 4752 2936 -2661 -341 -4305 -1875 -851 2721 -94 5074 3780 5432 3325 2059 741 4587 3614 580 1642 -1268 -802 -1943 268 1867 1189 -780 1114 -759 2186 -298 1117 732 -1947 -170 -387 -2631 -492 -2119 -1627 955 -909 -1044 -1211 684 -693 -1171 -1852 -1456 -2401 -1441 -1720 -869 -917 -606 288 454 -240 512 -134 814 342 678 506 -141 651 1187 1150 -389 128 -563 251 1185 1134 -472 734 285 -271 376 1176 1760 811 863 -391 -10245 1426 1837 586 752 525 1667 1076 329 1747 1280 1653 1016 841 -170 415 108 -363 -1173 -718 -835 -396 -1039 3180 3490 7275 2884 4115 4372 2888 4393 2637 1327 263 508 349 -1313 5150 3462 2530 -44213 7044 6513 6266 5045 4192 1234 1413 308 3265 -435 -402 353 1886 3851 3272 2255 2220 4918 1159 517 2185 1536 -1578 -209 -2804 -1225 -559 1755 -62 3177 2355 3324 2090 1357 515 3209 2613 434 1233 -970 -609 -1475 203 1447 979 -688 999 -683 1829 -243 893 618 -1797 -163 -380 -2606 -468 -1940 -1384 752 -712 -852 -1069 642 -698 -1233 -2026 -1657 -2867 -1771 -2158 -1082 -1116 -705 313 469 -245 539 -151 976 435 892 662 -178 780 1385 1365 -487 166 -755 345 1671 1659 -717 1115 425 -389 512 1538 2282 1083 1201 -569 -16106 2083 2643 829 1032 701 2148 1389 439 2417 1830 2403 1500 1270 -266 667 178 -603 -1973 -1195 -1365 -631 -1642 SS 20231107T171640.4Z 8711.719912 422 1 25.41 2 57.75 190.71 67.38 264.23 0.00 1 0.00 1 0 17 1.927e-02 7.658e-03 4.880e-03 2.166e-03 2.443035e-01 1.114883e-03 2.992892e-03 -6.000000e+00 1.127412e-02 223.95 -2.00 3.51 -2.00 316.43 0.00e+00 -3.429758e-05 1.324634e-04 7.317313e-05 -6.000000e+00 5.032406e-04 281.50 -2.00 20.00 -2.00 315.76 0.00e+00 1.867 0.000 302.00 328.00 3 4.5909e+00 2.8799e-03 2.2303e-02 -6.0000e+00 2.7752e-02 1.5603e-04 3.2266e-03 1.2381e-02 -6.0000e+00 3.0147e-02 4.2527e-03 1.8767e-03 6.1551e-03 -6.0000e+00 1.8017e-02 -3.8858e-03 8.8000e-04 1.7553e-03 -6.0000e+00 7.6297e-03 6.3056e-04 -3.7386e-04 6.6697e-05 2.3665e-05 -6.0000e+00 5.7415e-04 -2.1864e-03 0.0000e+00 12 9 1 12 33 1 99.93 22.77 0.50 -0.00219 -0.00500 11 5 1 5 0 2116.810 26.11 20.02 22.77 22.59 36.1 1028.50 -4824 -4879 10021 -8556 -1608 473 -623 6695 2615 951 -2234 -2402 -1199 -6784 4301 523 -2057 -3369 4651 2558 2074 1793 1401 -1967 854 -731 4506 -739 16 -170 717 1257 -271 -1433 -1783 2296 -781 -1218 480 -18 -1966 -73 -2058 -1539 -829 250 -2025 408 -683 732 618 231 197 1309 1177 454 1083 647 1253 798 1623 1547 1023 -67 -6 -1053 492 -459 1102 1038 -340 -68 -75 -737 -111 -338 328 1067 1154 -620 -554 -44 -1413 -1233 -1023 -473 -1054 -393 -500 -632 -302 299 233 1222 1018 1324 384 1031 -285 -654 -190 -680 -76 1020 214 -582 -553 -616 -42 508 77 -683 -342 -201 -233 247 437 1059 520 -78 -791 -518 382 10 109 144 242 658 925 108 679 415 426 236 609 -372 110 53 -485 -512 -283 -185 -362 -69 -801 -889 1666 -1629 -269 73 -98 1070 478 187 -460 -502 -263 -1725 1110 152 -644 -1101 1468 844 702 613 484 -717 318 -287 1714 -286 6 -61 255 467 -108 -599 -746 904 -319 -544 240 -10 -1228 -47 -1392 -1053 -566 170 -1382 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