File name: Pandora177s1_WestportCT_20231015_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T151248.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 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_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231015_L1_smca1c5d20230401p1-8.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: 20231015 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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20231015T134127.7Z 8688.570459 122 1 27.39 2 64.27 129.78 73.51 125.05 0.00 1 0.00 1 0 17 1.933e-02 1.094e-02 7.204e-03 1.772e-03 2.824570e-01 9.213830e-04 3.435082e-03 -6.000000e+00 1.146631e-02 225.93 -2.00 3.51 -2.00 317.89 0.00e+00 1.396735e-03 1.564752e-04 6.618181e-04 -6.000000e+00 5.100510e-04 284.17 -2.00 20.00 -2.00 317.16 0.00e+00 2.289 0.000 302.00 328.00 3 3.5915e+00 2.4409e-03 2.7011e-02 -6.0000e+00 2.8344e-02 5.0632e-02 2.7531e-03 1.4486e-02 -6.0000e+00 3.0659e-02 -1.4976e-03 1.7266e-03 7.1954e-03 -6.0000e+00 1.8305e-02 -8.6800e-03 8.8050e-04 2.1172e-03 -6.0000e+00 7.8868e-03 1.0382e-03 -1.7411e-04 5.4914e-05 2.3849e-05 -6.0000e+00 5.6818e-04 -4.3661e-03 0.0000e+00 12 9 9 12 1 1 97.56 22.81 0.33 -0.00437 -0.00567 27 12 1 5 0 977.940 26.21 20.00 22.81 15.92 22.0 954.82 -1372 -2970 -386 -5395 -4864 -4065 -5748 41 -2302 -3813 -7327 -3238 -3669 -1785 345 -3404 901 -318 1967 2099 1015 1161 892 2417 1633 -370 -1459 -1250 -2405 -258 1002 1183 1203 -4072 -6544 -5016 -2429 -1373 -15 -754 -683 -593 529 365 1032 913 -700 143 -621 1199 876 1193 1328 1240 863 1065 365 -697 -438 -175 1802 2562 2977 2236 125 -552 -1662 -566 1775 1892 843 1622 1034 1213 -121 -2061 -2302 -3455 -1226 -2557 -2337 -2795 -2721 -1570 -239 327 986 1215 1384 1492 352 -626 -1567 -780 -1045 -350 744 1376 508 -541 -1440 -1974 -873 -248 -1666 -1619 -948 -594 698 1348 1196 888 424 -34 -213 -474 230 265 1176 408 495 664 1180 830 494 -399 -881 631 -295 -404 -986 -1097 -585 30 404 67 614 644 539 76 -501 -1471 -110 -263 -33 -459 -376 -303 -466 4 -221 -383 -771 -347 -449 -249 54 -600 160 -60 377 415 206 235 185 521 375 -89 -346 -281 -525 -55 227 295 320 -1144 -1811 -1370 -714 -474 -6 -349 -311 -283 256 178 502 443 -340 74 -323 625 442 643 758 738 531 669 233 -446 -275 -110 1164 1774 2220 1757 98 -410 -1168 -395 1321 1567 759 1492 945 1056 -98 -1543 -1588 -2368 -882 -2097 -2142 -2810 -2909 -1608 -258 374 1177 1474 1655 1704 377 -673 -1587 -785 -1131 -382 891 1785 691 -726 -1809 -2307 -986 -291 -2121 -2178 -1325 -867 1067 2012 1861 1385 636 -52 -301 -642 312 379 1776 651 738 1050 1794 1216 694 -537 -1153 834 -422 -620 -1588 -1811 -915 48 691 120 1123 1193 997 138 -877 -2509 SS 20231015T135856.3Z 8688.582597 134 1 38.29 2 61.82 133.77 70.99 128.53 0.00 1 0.00 1 0 17 1.824e-02 1.082e-02 7.756e-03 1.917e-03 2.625497e-01 9.911161e-04 3.218777e-03 -6.000000e+00 1.082189e-02 225.93 -2.00 3.51 -2.00 317.94 0.00e+00 1.709869e-03 1.705527e-04 6.251248e-04 -6.000000e+00 4.812901e-04 284.16 -2.00 20.00 -2.00 317.20 0.00e+00 2.107 0.000 302.00 328.00 3 3.9958e+00 2.6265e-03 2.4937e-02 -6.0000e+00 2.6752e-02 4.9369e-02 2.9637e-03 1.3455e-02 -6.0000e+00 2.8934e-02 4.0650e-04 1.8592e-03 6.7630e-03 -6.0000e+00 1.7275e-02 -9.8127e-03 9.5487e-04 2.1054e-03 -6.0000e+00 7.4448e-03 8.5303e-04 -2.0915e-05 5.9764e-05 2.3134e-05 -6.0000e+00 5.3613e-04 -5.6156e-03 0.0000e+00 12 9 9 12 1 1 99.95 22.83 0.37 -0.00562 -0.00577 41 12 1 5 0 911.480 26.21 20.00 22.83 16.43 21.8 957.15 363 -2206 -918 -3677 -3417 -2608 -472 39 -3035 -4099 -7629 -6646 -2541 1390 242 -712 -634 1403 2318 501 676 288 1781 425 2504 -462 -2463 -269 -1909 1459 788 2185 466 -3149 -6826 -4714 -3185 -1920 450 -903 -451 -296 306 173 694 604 -124 292 -1114 682 782 1341 779 1185 756 1212 95 -813 -292 -304 1750 2840 2991 1952 375 -935 -1142 -309 1541 1434 888 1374 992 1327 248 -1557 -2529 -3515 -1754 -2444 -2150 -2687 -2598 -1462 -80 439 1164 1363 1388 1181 492 -991 -1572 -439 -595 -517 813 1236 563 -661 -1224 -2285 -827 -470 -1662 -1637 -1110 -613 575 1307 1378 1132 541 -230 -258 -749 180 -146 762 429 894 680 1133 667 629 -492 -791 266 -324 -225 -789 -1194 -617 280 315 224 663 697 553 -34 -570 -1452 30 -199 -82 -315 -267 -195 -37 3 -296 -415 -805 -733 -304 186 37 -120 -112 253 429 98 133 62 388 99 600 -116 -617 -63 -433 320 186 555 128 -898 -1938 -1311 -962 -678 184 -385 -207 -142 150 85 342 296 -60 138 -528 323 391 714 441 695 458 746 60 -511 -180 -189 1109 1921 2179 1499 287 -675 -771 -207 1104 1145 766 1215 871 1109 193 -1115 -1845 -2534 -1328 -1904 -1866 -2555 -2624 -1542 -89 518 1431 1704 1713 1397 542 -1008 -1497 -413 -600 -576 989 1628 776 -901 -1555 -2718 -949 -562 -2151 -2240 -1580 -908 891 1957 2142 1760 808 -350 -363 -1017 244 -209 1155 686 1442 1080 1731 982 884 -664 -1035 353 -462 -343 -1258 -1954 -1032 487 529 394 1190 1267 1004 -61 -984 -2440 SS 20231015T140848.4Z 8688.589449 140 1 40.15 2 60.50 136.12 69.63 130.56 0.00 1 0.00 1 0 17 1.812e-02 1.111e-02 5.390e-03 1.460e-03 2.524588e-01 7.576970e-04 3.094816e-03 -6.000000e+00 1.075427e-02 225.93 -2.00 3.51 -2.00 317.78 0.00e+00 1.385712e-03 1.251280e-04 6.380784e-04 -6.000000e+00 4.782464e-04 284.16 -2.00 20.00 -2.00 317.04 0.00e+00 2.022 0.000 302.00 328.00 3 3.5880e+00 2.0007e-03 2.3929e-02 -6.0000e+00 2.6585e-02 4.4863e-02 2.2550e-03 1.2917e-02 -6.0000e+00 2.8753e-02 -3.1374e-03 1.3936e-03 6.4299e-03 -6.0000e+00 1.7167e-02 -6.3272e-03 7.0756e-04 1.8973e-03 -6.0000e+00 7.3987e-03 1.4223e-03 2.0709e-05 4.5566e-05 2.0970e-05 -6.0000e+00 5.3273e-04 -6.0898e-03 0.0000e+00 12 9 9 12 1 1 99.99 22.81 0.39 -0.00609 -0.00593 96 27 1 5 0 413.870 26.21 20.00 22.81 16.29 21.9 956.65 2009 440 -3844 -2932 -5275 -2948 -561 -126 -677 -6997 -6374 -4645 -2248 -1027 904 324 568 1967 1781 2887 948 679 1004 906 1636 -490 -563 -1980 -1667 -1185 1105 541 721 -3618 -5188 -4750 -4133 -552 -733 -497 -1260 -260 228 326 1177 525 -135 -600 -617 120 1183 1005 1322 1034 541 1509 457 -108 -539 377 1116 2290 2928 2431 261 -1036 -1339 -625 2254 1566 970 1305 1045 1319 -327 -1126 -2400 -2887 -1971 -2241 -2409 -2580 -2887 -1590 -322 419 1413 1240 1546 1105 331 -1012 -2002 -619 -710 -273 356 1356 455 -450 -1487 -1993 -812 -449 -1568 -1901 -1109 -756 833 1471 1265 988 514 -145 -317 -391 14 249 793 623 695 896 1044 640 901 -574 -662 412 -100 -298 -1055 -1259 -617 -136 329 230 750 818 433 -60 -400 -1525 183 44 -397 -280 -470 -248 -49 -12 -72 -816 -741 -558 -297 -155 151 59 108 382 360 595 202 144 217 206 389 -121 -136 -499 -399 -281 272 146 206 -1081 -1509 -1376 -1311 -200 -290 -222 -615 -131 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