File name: Pandora75s1_EssexMD_20250509_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250510T050844.7Z 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: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250509_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250509 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20250509T150527.1Z 9260.628786 322 1 38.84 2 33.41 122.28 148.78 6.96 0.00 1 0.00 1 0 17 1.497e-02 9.211e-03 3.813e-03 2.190e-03 1.933934e-01 1.167446e-03 2.276223e-03 -6.000000e+00 9.051954e-03 230.70 -2.00 3.48 -2.00 315.71 0.00e+00 7.164085e-04 1.158818e-04 1.409948e-04 -6.000000e+00 3.992828e-04 283.97 -2.00 20.00 -2.00 315.03 0.00e+00 1.197 0.000 302.00 328.00 3 6.0210e+00 3.0298e-03 1.5589e-02 -6.0000e+00 2.2610e-02 3.3782e-02 3.3724e-03 9.7722e-03 -6.0000e+00 2.4477e-02 -2.1769e-03 1.9249e-03 4.7433e-03 -6.0000e+00 1.4571e-02 -4.5557e-03 8.4372e-04 1.3225e-03 -6.0000e+00 6.0306e-03 3.0921e-04 1.8360e-04 6.9216e-05 1.8547e-05 -6.0000e+00 4.6363e-04 6.0710e-03 6.1534e-05 12 9 1 12 41 1 99.99 23.77 0.37 0.00607 0.00745 15 3 1 5 0 2427.440 26.41 20.00 23.77 20.02 6.2 974.34 -8438 1130 5408 905 -4561 -3625 1635 -864 -2096 -2180 -3524 -1142 -690 2726 -39 -192 1194 624 402 877 1179 2436 1342 598 638 1452 856 -1270 -988 -1007 -694 -364 211 -1209 -2748 -2882 -1700 -1244 662 34 -1357 807 256 -114 -449 805 -503 -951 -726 417 306 397 679 1853 1721 1672 887 -14 -339 -216 1049 2621 2245 930 787 -269 -602 -925 1275 1149 255 1516 340 226 -403 -1385 -1381 -1728 -2059 -2584 -1940 -1951 -2001 -1358 -792 -50 -67 627 486 870 471 -279 -1066 -860 -1264 518 648 353 486 -34 -759 -1180 -572 -773 -1208 -1060 -283 391 471 1287 1047 672 382 27 -145 346 -317 -190 340 264 559 747 1160 719 714 -574 -127 -108 446 250 -143 -586 -531 -152 -211 80 313 663 94 29 -329 -770 -942 -2235 295 1377 229 -1105 -820 359 -212 -568 -620 -1019 -327 -211 901 -14 -72 460 248 165 368 500 1019 575 267 296 686 404 -581 -422 -417 -293 -161 98 -580 -1288 -1329 -828 -690 389 23 -1022 576 188 -85 -335 587 -394 -723 -536 303 230 314 519 1461 1396 1378 744 -12 -284 -181 891 2326 2138 869 727 -253 -525 -786 1108 1103 249 1528 348 224 -403 -1269 -1149 -1482 -1680 -2326 -1923 -1963 -2146 -1526 -943 -59 -84 795 617 1058 534 -311 -1101 -921 -1310 573 789 438 628 -44 -924 -1444 -670 -936 -1467 -1358 -377 541 638 1815 1532 986 538 37 -188 421 -386 -241 457 377 765 1014 1630 971 914 -707 -160 -137 551 326 -195 -821 -759 -210 -308 121 489 1051 150 45 -500 -1145 -1388 SS 20250509T151002.9Z 9260.631978 325 1 50.13 2 32.67 123.75 148.68 9.06 0.00 1 0.00 1 0 17 2.542e-02 1.294e-02 5.840e-03 3.039e-03 1.995130e-01 1.613659e-03 2.332532e-03 -6.000000e+00 1.537142e-02 230.70 -2.00 3.48 -2.00 316.00 0.00e+00 1.375597e-03 1.714000e-04 1.799202e-04 -6.000000e+00 6.780965e-04 283.97 -2.00 20.00 -2.00 315.29 0.00e+00 1.187 0.000 302.00 328.00 3 6.7793e+00 4.2016e-03 1.5696e-02 -6.0000e+00 3.8394e-02 5.3116e-02 4.6821e-03 1.0070e-02 -6.0000e+00 4.1566e-02 -4.5166e-03 2.6790e-03 4.8650e-03 -6.0000e+00 2.4745e-02 -1.8207e-03 1.1906e-03 1.4749e-03 -6.0000e+00 1.0239e-02 1.4274e-04 1.6560e-04 9.6495e-05 1.7558e-05 -6.0000e+00 7.8738e-04 8.0713e-03 1.0585e-04 12 8 8 10 0 0 99.28 23.77 0.97 0.00807 0.00932 13 2 1 5 0 3855.350 26.41 20.00 23.77 20.41 6.3 977.35 -16227 1466 10831 3967 -8464 -5713 1199 -749 -6634 -842 -3198 -1025 -378 6508 1337 -1193 67 580 2463 -810 2009 2585 2868 852 2512 1141 701 -3574 -3102 3378 -1243 626 853 -1751 -1521 -1869 -3355 -3143 832 1828 -2217 853 860 945 -1078 608 68 -2435 -691 195 248 -287 1940 1896 2009 2250 63 -164 -1964 -245 1302 3372 2555 1374 57 -1002 -352 -1391 1168 889 292 1978 152 445 -24 -651 -2181 -2204 -3046 -3692 -2413 -2138 -1496 -1216 -864 -323 -6 1306 1088 1297 332 -1067 -1524 -1879 -1664 403 1189 610 1497 625 -708 -1625 -907 -1071 -1265 -1696 -397 862 858 1214 2352 911 537 -776 -46 455 -441 -492 213 393 928 968 1322 614 356 -618 -574 -357 840 -222 -1303 -406 -1058 -434 -134 -269 -125 1277 206 791 -36 -722 -847 -3958 325 2234 834 -1826 -1128 225 -156 -1592 -200 -778 -248 -98 1765 427 -425 25 219 939 -327 801 1022 1141 357 1074 507 311 -1572 -1274 1262 -500 261 375 -803 -669 -811 -1578 -1533 458 1144 -1579 618 639 709 -823 453 50 -1772 -481 134 176 -216 1500 1529 1662 1885 50 -130 -1561 -209 1125 2782 2274 1292 53 -889 -288 -1217 1042 804 288 2006 157 443 -22 -605 -1868 -1792 -2570 -3445 -2259 -2181 -1616 -1380 -962 -381 -8 1643 1370 1567 375 -1209 -1594 -1904 -1749 451 1455 755 1918 794 -861 -2017 -1076 -1312 -1531 -2179 -527 1180 1230 1820 3353 1316 804 -1091 -59 550 -535 -624 285 558 1341 1388 1839 823 453 -818 -729 -455 1110 -288 -1782 -564 -1506 -637 -206 -402 -192 1973 322 1201 -58 -1127 -1311 SS 20250509T170621.9Z 9260.712754 402 1 7.47 2 21.77 182.58 137.69 52.54 0.00 1 0.00 1 0 17 9.667e-03 7.702e-03 1.290e-03 9.433e-04 1.739681e-01 5.074886e-04 2.054799e-03 -6.000000e+00 5.847405e-03 230.71 -2.00 3.48 -2.00 314.59 0.00e+00 6.107906e-04 4.072762e-05 3.781450e-05 -6.000000e+00 2.579055e-04 283.98 -2.00 20.00 -2.00 314.01 0.00e+00 1.077 0.000 302.00 328.00 3 3.1389e+00 1.3041e-03 1.4038e-02 -6.0000e+00 1.4606e-02 3.1974e-02 1.4442e-03 8.8378e-03 -6.0000e+00 1.5811e-02 -2.1644e-03 8.2399e-04 4.2817e-03 -6.0000e+00 9.4126e-03 -4.8595e-03 3.4869e-04 1.2050e-03 -6.0000e+00 3.8962e-03 6.4800e-03 2.6687e-04 2.9528e-05 1.7855e-05 -6.0000e+00 2.9944e-04 5.3110e-03 7.5606e-05 12 9 1 12 1 1 99.96 23.80 0.49 0.00531 0.00732 34 39 1 5 0 213.310 26.51 20.00 23.80 23.53 6.2 997.46 261 247 -754 -2354 -2797 -1877 -287 244 61 -961 -2382 -1729 -936 -220 480 182 -140 1053 1330 1353 1392 1337 1702 1388 1449 809 185 -411 -123 645 871 1169 652 -1147 -2562 -2816 -2281 -1357 -142 -490 -873 -578 -495 -433 -43 -31 -340 -547 -330 105 418 679 1107 1155 763 718 637 374 487 699 969 1673 1742 1255 375 -279 -752 -297 618 1011 651 525 517 271 -36 -683 -1140 -1318 -1756 -1508 -1735 -1810 -1902 -1710 -864 -616 152 496 436 418 457 -112 -160 -27 -38 200 390 633 117 -221 -965 -1260 -696 -480 -722 -952 -600 -343 367 684 828 624 312 57 -179 131 104 485 348 373 428 631 555 634 668 396 312 260 377 326 -127 -482 -273 -3 84 139 402 268 72 -23 -559 -1012 -953 97 92 -289 -936 -1011 -631 -97 89 24 -377 -948 -688 -396 -102 229 94 -75 575 697 725 757 726 929 786 851 490 112 -237 -70 353 484 637 375 -681 -1481 -1601 -1376 -872 -100 -376 -699 -483 -423 -373 -36 -27 -282 -438 -269 84 345 559 950 1033 669 639 573 336 431 618 879 1599 1694 1277 379 -264 -693 -263 566 970 651 550 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