File name: Pandora75s1_EssexMD_20241015_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241016T045343.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241015_L1_smca1c1d20221230p1-8.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: 20241015 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20241015T180013.2Z 9054.750153 19 1 0.82 2 50.78 202.12 128.49 53.49 0.00 1 0.00 1 0 17 1.226e-02 8.216e-03 5.357e-03 3.183e-03 2.350935e-01 1.705834e-03 2.898007e-03 -6.000000e+00 7.402022e-03 226.09 -2.00 3.48 -2.00 315.53 0.00e+00 2.711187e-04 1.656664e-04 1.695575e-04 -6.000000e+00 3.295567e-04 285.32 -2.00 20.00 -2.00 314.88 0.00e+00 1.578 0.000 302.00 328.00 3 2.2557e+00 4.3664e-03 1.9792e-02 -6.0000e+00 1.8288e-02 4.2612e-02 4.8426e-03 1.1890e-02 -6.0000e+00 1.9743e-02 -1.2970e-02 2.7861e-03 5.8902e-03 -6.0000e+00 1.1801e-02 -2.8965e-03 1.2678e-03 1.6762e-03 -6.0000e+00 5.0747e-03 8.5414e-03 -1.1219e-03 9.9022e-05 2.4916e-05 -6.0000e+00 3.7725e-04 -3.3820e-02 1.3727e-04 12 9 1 12 1 1 78.20 23.77 0.34 -0.03382 -0.04225 3 41 1 5 0 203.130 26.41 20.00 23.77 22.88 5.5 975.56 -178 1129 276 -492 -905 -4550 -2428 -289 -1923 -2148 -2109 -2888 -1458 -740 -563 1085 -330 1794 2095 892 2981 1513 547 1273 1973 2018 896 99 61 -442 -498 2086 278 -1910 -3915 -3283 -3945 -2076 -868 -516 -559 -440 -439 -235 419 550 -643 -649 -1124 311 140 784 967 1085 424 1158 1433 -254 231 966 395 1896 1505 1558 1223 768 251 -961 394 994 177 1005 680 537 35 -376 -1914 -1125 -1953 -2021 -1358 -1202 -1719 -1505 -670 -536 226 867 386 23 -373 -321 -700 -394 178 -304 562 537 445 -115 -791 -1313 -542 -799 -782 -381 -390 -468 232 1091 1161 589 587 -142 -402 -312 161 499 544 360 591 402 204 408 556 600 105 309 369 -269 -499 -446 -125 90 274 -5 311 194 -243 -45 -574 -948 -45 307 72 -135 -227 -1108 -592 -75 -561 -616 -612 -858 -463 -263 -209 435 -132 727 877 389 1296 668 247 595 958 949 427 48 28 -197 -229 997 135 -974 -1964 -1605 -2075 -1155 -532 -346 -393 -325 -333 -180 318 414 -481 -472 -845 231 103 607 751 882 358 990 1237 -212 198 821 347 1667 1366 1485 1163 719 221 -834 353 938 176 1035 704 537 35 -349 -1723 -958 -1733 -1891 -1345 -1250 -1845 -1635 -771 -633 278 1052 471 28 -441 -360 -759 -414 194 -349 656 661 574 -146 -996 -1551 -633 -962 -968 -479 -514 -624 313 1538 1648 844 835 -197 -533 -392 208 645 723 489 820 553 284 543 725 773 131 388 471 -366 -688 -631 -175 130 404 -7 477 304 -382 -68 -857 -1424 SS 20241015T183237.5Z 9054.772656 37 1 51.64 2 53.62 211.60 123.34 60.64 0.00 1 0.00 1 0 17 1.139e-02 7.469e-03 6.189e-04 2.971e-04 2.449767e-01 1.580232e-04 2.990093e-03 -6.000000e+00 6.880322e-03 226.09 -2.00 3.48 -2.00 316.19 0.00e+00 5.957056e-04 1.776209e-05 1.813012e-04 -6.000000e+00 3.062854e-04 285.31 -2.00 20.00 -2.00 315.50 0.00e+00 1.682 0.000 302.00 328.00 3 1.7209e+00 4.0739e-04 2.0912e-02 -6.0000e+00 1.6999e-02 2.8726e-02 4.5345e-04 1.2402e-02 -6.0000e+00 1.8350e-02 -8.2474e-03 2.6306e-04 6.1270e-03 -6.0000e+00 1.0969e-02 -4.5116e-03 1.2350e-04 1.7348e-03 -6.0000e+00 4.7178e-03 1.2997e-02 -8.3377e-04 9.3211e-06 2.4372e-05 -6.0000e+00 3.5053e-04 -3.3638e-02 2.2725e-04 11 8 0 10 0 0 99.99 23.86 0.37 -0.03364 -0.03990 1233 201 1 5 0 41.840 26.51 20.00 23.86 23.44 5.4 978.65 -1559 -618 -760 -1466 -2637 -3190 -2162 -1628 -1301 -2246 -2586 -2818 -2322 -1330 -540 456 458 1026 1475 1637 1672 1336 1586 1442 1305 1124 690 -31 -66 -273 345 622 236 -1139 -3009 -3301 -3240 -2127 -980 -643 -602 -311 -84 31 137 393 27 -255 -236 -66 699 892 944 1068 893 950 876 444 291 454 918 1493 1943 1569 769 -94 -421 -381 455 1047 734 719 612 323 -30 -826 -1435 -1829 -1799 -1512 -1778 -1948 -1893 -1632 -895 -374 144 602 575 435 210 -131 -502 -342 -80 114 604 645 246 -296 -849 -1298 -821 -464 -756 -942 -587 -228 410 839 866 655 317 4 -44 -20 278 406 525 344 336 453 526 540 392 163 103 326 308 86 -127 -377 -283 58 33 59 286 234 -35 -253 -579 -988 -284 -112 -143 -296 -490 -559 -383 -313 -275 -510 -597 -665 -539 -346 -158 146 155 359 533 609 633 508 560 532 504 450 278 -12 -26 -106 138 243 99 -498 -1295 -1398 -1466 -1089 -541 -382 -394 -214 -59 22 98 278 19 -174 -158 -44 484 655 684 811 702 761 712 362 234 364 753 1297 1695 1448 712 -82 -370 -327 407 965 696 714 610 311 -29 -723 -1228 -1500 -1527 -1327 -1745 -1981 -2059 -1766 -1027 -455 174 744 711 519 246 -149 -531 -351 -86 126 736 815 327 -390 -1063 -1606 -969 -560 -927 -1225 -797 -307 578 1186 1276 972 454 6 -61 -25 359 547 714 495 494 660 745 733 533 212 129 411 410 115 -180 -550 -423 85 51 92 455 380 -56 -403 -896 -1561 SS 20241015T190617.4Z 9054.796034 62 1 51.91 2 57.47 220.55 117.62 67.23 0.00 1 0.00 1 0 17 1.239e-02 7.457e-03 3.626e-04 1.616e-04 2.686960e-01 8.605835e-05 3.261029e-03 -6.000000e+00 7.480606e-03 226.09 -2.00 3.48 -2.00 316.39 0.00e+00 6.994023e-04 1.009654e-05 1.960312e-04 -6.000000e+00 3.330138e-04 285.31 -2.00 20.00 -2.00 315.67 0.00e+00 1.853 0.000 302.00 328.00 3 3.6721e-01 2.2248e-04 2.2986e-02 -6.0000e+00 1.8483e-02 1.9801e-02 2.4769e-04 1.3566e-02 -6.0000e+00 1.9951e-02 -9.0459e-03 1.4439e-04 6.7140e-03 -6.0000e+00 1.1926e-02 -3.6163e-03 6.8547e-05 1.9159e-03 -6.0000e+00 5.1292e-03 4.1033e-02 -8.8815e-04 5.0574e-06 2.5940e-05 -6.0000e+00 3.8115e-04 -3.3548e-02 2.1357e-04 11 8 0 10 0 0 99.96 23.85 0.39 -0.03355 -0.04022 2642 430 1 5 0 19.520 26.51 19.98 23.85 23.11 5.5 976.37 -1617 -708 -861 -1683 -3171 -3363 -3384 -2422 -1891 -2596 -3326 -3573 -2739 -1452 -246 383 501 1022 1621 1805 1770 1451 1666 1473 1193 1163 520 -207 -369 -339 130 741 239 -1225 -2954 -3413 -3169 -2126 -839 -609 -512 -263 -60 145 285 449 63 -183 -322 45 540 922 930 1100 941 942 856 472 283 476 937 1493 2007 1581 785 -52 -401 -356 497 1048 714 757 583 342 -53 -905 -1474 -1777 -1728 -1535 -1668 -1865 -1919 -1634 -868 -419 132 606 601 475 258 -81 -455 -269 -95 155 571 633 188 -329 -868 -1355 -805 -507 -772 -984 -581 -213 427 822 850 614 347 60 -76 19 236 440 525 328 327 480 527 510 437 140 141 352 306 67 -161 -407 -307 52 51 79 268 221 -61 -213 -559 -974 -248 -120 -152 -290 -506 -557 -575 -405 -347 -512 -673 -744 -620 -370 -71 111 155 328 539 619 620 511 596 552 470 438 198 -82 -139 -125 50 303 98 -524 -1244 -1420 -1408 -996 -459 -361 -335 -170 -40 98 192 301 42 -119 -207 29 362 656 701 820 728 745 687 380 225 376 759 1213 1751 1387 695 -46 -335 -292 425 938 699 736 569 340 -49 -811 -1284 -1488 -1505 -1398 -1613 -1890 -2086 -1783 -1003 -491 161 728 722 575 305 -88 -484 -278 -103 176 683 794 249 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