File name: Pandora75s1_EssexMD_20240719_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T073849.4Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240719_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: 20240719 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 20240719T104831.4Z 8966.450363 144 1 51.56 2 81.43 70.20 124.42 258.80 0.00 1 0.00 1 0 17 5.988e-01 3.532e-02 3.301e-01 1.125e-02 7.658936e-01 6.688179e-03 1.084655e-02 -6.000000e+00 3.755736e-01 232.61 -2.00 3.48 -2.00 321.76 0.00e+00 1.256880e-02 3.803712e-03 1.301386e-02 -6.000000e+00 1.855121e-02 290.58 -2.00 20.00 -2.00 321.15 0.00e+00 6.317 0.004 302.00 328.00 3 2.9838e+00 2.5706e-02 9.7825e-02 -6.0000e+00 9.4128e-01 8.2864e-01 3.3515e-02 8.5335e-02 -6.0000e+00 1.0212e+00 -1.0862e+00 2.7394e-02 3.0695e-02 -6.0000e+00 6.0159e-01 4.2502e-01 1.2832e-02 5.5628e-03 -6.0000e+00 2.4966e-01 2.0000e-05 -1.5328e-03 3.4670e-04 2.5201e-04 -6.0000e+00 2.0254e-02 4.5967e-03 1.7836e-05 12 9 8 11 32 0 64.51 23.70 2.01 0.00460 -0.00692 16 3 1 5 0 3221.800 26.41 20.00 23.70 28.44 4.5 1015.37 -55673 900000 900000 900000 -143194 -42764 900000 900000 -115129 95396 -22081 -40365 14714 900000 240977 -91493 12994 75511 7408 -37598 900000 183225 110488 -3630 2220 73636 900000 -69588 -19173 900000 45931 -50954 154796 43554 900000 188210 22774 10403 900000 900000 47203 900000 129790 123403 15826 66954 41760 148033 26440 232832 54410 26951 60135 177731 100611 65490 28422 12142 31777 -3654 11735 111741 18033 11094 25277 -36826 20493 17142 43653 3391 10780 45900 -12012 -386 2291 7925 6897 12619 9518 -10128 2647 -1414 3978 1060 -7610 -2698 -1257 7074 -3784 6433 1103 -5836 -1327 -4034 -7255 5982 -1436 -5621 3059 4466 -2964 -4111 -2414 -5658 -7454 -5129 -1038 1474 -2799 1329 7650 882 -2008 -1485 -2654 4026 477 1428 -399 668 3389 303 3758 2067 264 -3036 -154 1988 3058 -757 1799 -1705 -1808 -228 -242 -319 -883 1921 -419 1900 63 -366 -1901 -1219 900000 900000 900000 -7409 -723 900000 900000 -3780 1044 -286 -683 176 900000 2637 -6008 336 1127 229 -1833 900000 2005 1209 -112 64 1026 900000 -3808 -630 900000 1005 -3498 1694 1387 900000 2060 947 547 900000 900000 2480 900000 3267 3377 1282 3298 2697 3402 2141 2548 3871 2773 4805 4669 5946 5591 3515 1728 3582 -576 1631 6237 2901 2137 4482 -12172 3813 3415 7262 947 3044 9445 -4326 -116 607 1787 1480 2624 2302 -3536 956 -608 1785 523 -4356 -1556 -747 3964 -2357 3492 594 -3181 -677 -2217 -4645 3929 -1191 -5586 3037 4414 -2988 -3820 -2034 -4879 -6894 -4923 -1021 1538 -3080 1585 9546 1258 -3001 -2164 -3771 5220 649 2017 -606 1033 5045 449 5186 2799 350 -4050 -199 2662 4577 -1333 3427 -3634 -4110 -499 -565 -782 -2233 4776 -1055 4469 142 -852 -4379 SS 20240719T110236.7Z 8966.460147 149 1 51.59 2 78.85 72.28 126.96 260.61 0.00 1 0.00 1 0 17 4.640e-01 1.241e-02 1.306e-01 3.131e-03 6.578324e-01 1.733735e-03 7.972158e-03 -6.000000e+00 2.826424e-01 232.61 -2.00 3.48 -2.00 320.95 0.00e+00 3.667564e-03 8.133586e-04 5.171558e-03 -6.000000e+00 1.292865e-02 290.58 -2.00 20.00 -2.00 320.26 0.00e+00 4.987 0.002 302.00 328.00 3 2.6137e+00 5.8443e-03 6.5174e-02 -6.0000e+00 7.0766e-01 8.9161e-02 7.7933e-03 4.6591e-02 -6.0000e+00 7.6406e-01 -1.6275e-01 7.1757e-03 2.1171e-02 -6.0000e+00 4.5613e-01 5.2458e-02 3.4343e-03 4.9109e-03 -6.0000e+00 1.8974e-01 1.3554e-04 -5.9122e-05 9.3640e-05 1.0831e-04 -6.0000e+00 1.4528e-02 4.0609e-03 6.5705e-06 12 9 8 11 8 0 97.30 23.71 0.90 0.00406 0.00362 50 8 1 5 0 1031.690 26.41 20.01 23.71 29.10 4.5 1020.06 -232279 -142434 106268 900000 -160070 -179629 -110410 -131873 -162802 -131638 -138729 -119514 -114906 -32247 -33846 -71103 -26450 5484 -75958 -50212 26118 -7725 -27003 -31951 -9575 4365 -51798 -39595 -20575 5808 -16030 -36540 3479 -12951 -6370 -2606 -5570 -6037 15452 8450 -1977 10715 9125 8023 -749 13413 4247 2445 198 7916 3080 1933 9975 14257 9846 6883 -791 1492 -728 1961 2083 5856 4972 5535 3080 -6625 3264 -1119 3728 1719 2952 5736 -1435 -2117 -566 -893 -412 -851 -1955 -2824 -2599 -2738 -2222 -723 -1281 336 994 2372 804 731 234 -1083 -390 -832 -2042 572 247 456 415 -122 -783 -2544 -1854 -1468 -2086 -1643 -970 -628 804 627 1851 633 540 -470 -601 324 -290 -83 614 470 826 487 1357 742 288 -621 -295 345 474 -283 -99 -681 -577 -498 -50 -98 316 736 420 492 -435 -473 -636 -4383 -1304 324 900000 -1821 -2442 -797 -1317 -2485 -1607 -1963 -1751 -1999 -315 -424 -1563 -428 72 -2458 -1333 335 -141 -626 -839 -216 91 -1929 -1293 -559 131 -528 -1762 130 -613 -282 -112 -270 -346 868 606 -179 926 847 779 -81 1294 461 281 24 976 442 313 1644 2450 1884 1418 -181 334 -164 427 471 1400 1352 1664 1000 -2366 1055 -393 1372 665 1241 2455 -655 -924 -246 -354 -153 -325 -841 -1307 -1400 -1681 -1492 -513 -978 269 830 2005 689 605 182 -808 -282 -626 -1732 500 250 523 511 -152 -924 -2796 -1892 -1500 -2271 -1889 -1178 -756 1049 911 2914 985 843 -718 -946 489 -446 -133 957 757 1317 756 2174 1152 432 -909 -425 521 741 -497 -190 -1311 -1175 -1077 -108 -221 729 1713 973 1093 -986 -1022 -1354 SS 20240719T110822.2Z 8966.464146 152 1 51.28 2 77.79 73.13 128.01 261.36 0.00 1 0.00 1 0 17 3.540e-01 1.051e-02 1.368e-01 2.639e-03 6.136131e-01 1.448120e-03 7.275488e-03 -6.000000e+00 2.156475e-01 232.61 -2.00 3.48 -2.00 320.70 0.00e+00 2.390242e-03 6.228932e-04 3.852832e-03 -6.000000e+00 9.709633e-03 290.58 -2.00 20.00 -2.00 319.98 0.00e+00 4.586 0.002 302.00 328.00 3 2.7378e+00 4.7297e-03 5.8890e-02 -6.0000e+00 5.3996e-01 3.1254e-02 6.1161e-03 3.9966e-02 -6.0000e+00 5.8300e-01 -8.6735e-02 5.4442e-03 1.8204e-02 -6.0000e+00 3.4793e-01 2.5329e-02 2.6581e-03 4.3333e-03 -6.0000e+00 1.4447e-01 1.8428e-04 -1.5136e-04 8.0104e-05 9.1813e-05 -6.0000e+00 1.0975e-02 4.1185e-03 1.1396e-05 12 8 8 10 0 0 97.15 23.71 0.78 0.00412 0.00298 63 10 1 5 0 813.870 26.41 19.99 23.71 29.33 4.5 1021.29 -140766 -130417 30945 -15679 -173830 -162275 -27441 -87640 -143417 -51656 -88707 -78398 -83717 -38166 -58450 -57180 -42730 -36264 -38176 -63090 24337 -10375 917 -21441 -19346 1915 -37427 -22021 -35601 11641 -13669 -23672 5102 -13754 -7082 1691 -2747 932 7410 -585 4040 1194 4918 3582 -1076 6844 3673 2829 3960 8745 2722 36 3632 10611 4370 5488 -1437 177 849 994 883 3484 2592 3136 2018 -4033 2996 514 2493 1996 1308 3611 41 -1093 -185 227 -2974 -2275 -2645 -2576 -2829 -1660 -1564 -1230 -1062 -34 1223 2180 690 903 1045 -884 -834 -1157 -977 -37 243 224 736 -30 -1235 -2024 -1773 -1086 -1474 -1635 -941 -409 468 1136 1622 548 200 -409 -449 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