File name: Pandora75s1_EssexMD_20240622_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240708T141943.3Z 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 v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240622_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: 20240622 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 20240622T104719.5Z 8939.449531 207 1 52.12 2 79.18 68.49 100.74 241.33 0.00 1 0.00 1 0 17 5.063e-01 1.945e-02 2.349e-01 5.023e-03 6.320474e-01 2.866966e-03 8.480499e-03 -6.000000e+00 3.135917e-01 232.85 -2.00 3.48 -2.00 320.99 0.00e+00 6.018825e-03 1.299782e-03 6.796211e-03 -6.000000e+00 1.378851e-02 288.36 -2.00 20.00 -2.00 320.37 0.00e+00 5.126 0.002 302.00 328.00 3 2.9548e+00 9.5095e-03 6.8859e-02 -6.0000e+00 7.8675e-01 2.2146e-01 1.2491e-02 5.3305e-02 -6.0000e+00 8.4461e-01 -3.6991e-01 1.1192e-02 2.4222e-02 -6.0000e+00 5.0301e-01 1.4640e-01 5.3879e-03 5.3694e-03 -6.0000e+00 2.1407e-01 8.4191e-05 -1.5615e-03 1.5292e-04 1.5042e-04 -6.0000e+00 1.5609e-02 -3.5888e-02 1.8286e-04 12 8 8 10 0 0 -9.32 23.60 1.11 -0.03589 -0.04762 30 5 1 5 0 1737.060 26.32 20.00 23.60 33.71 4.2 1054.22 -84205 -66972 30727 -75894 -212016 -67693 -130388 -183331 -192427 -134499 -135432 -74885 -61326 23551 -33455 128395 -17544 14963 181007 -14091 106738 165351 -5185 -34841 15742 77360 163469 14961 8321 -28999 23914 -25378 32224 14965 36942 96086 -17739 20936 23684 -6682 -299 2384 7882 29892 24677 13510 12019 10070 17183 6653 3773 7051 28187 25753 3591 6160 3879 4929 4509 150 1647 10421 2231 4588 2677 6157 -179 3564 6343 9015 3679 2671 250 -2457 663 2415 -3245 -6623 -393 -4550 -312 -9621 52 796 315 -2387 1435 1035 1663 -393 -1333 -1897 -540 -5067 -2802 322 124 301 92 -3253 -727 -2834 -555 -998 -1759 -1524 -1275 -864 487 461 1788 676 -205 -396 887 -88 182 761 -206 1734 263 1523 2706 426 650 -432 -285 72 98 355 445 -741 246 -1321 -735 326 352 795 277 188 -687 -1130 -825 -656 150 -879 -8873 -633 -2322 -5958 -7453 -3114 -3316 -1100 -956 199 -626 629 -383 260 886 -407 941 810 -142 -1348 385 1061 961 381 224 -1207 679 -1392 1136 674 1321 1882 -1164 1077 1415 -638 -30 252 830 2606 2308 1442 1330 1169 1935 886 567 1136 4017 4061 747 1294 851 1067 961 33 371 2348 613 1366 855 1885 -58 1143 2156 3369 1594 1224 117 -1119 269 874 -1166 -2491 -154 -2170 -166 -5813 34 509 217 -1797 1093 814 1301 -304 -975 -1313 -393 -3612 -2165 278 124 340 112 -3782 -851 -3113 -557 -1009 -1898 -1742 -1547 -1125 629 661 2769 1114 -342 -640 1350 -131 273 1186 -343 2930 451 2505 4255 661 966 -628 -407 107 163 655 827 -1491 517 -2997 -1639 753 836 1909 664 435 -1634 -2572 SS 20240622T105748.7Z 8939.456813 210 1 51.74 2 77.28 70.00 102.46 242.76 0.00 1 0.00 1 0 17 2.987e-01 8.516e-03 1.416e-01 4.060e-03 5.600990e-01 2.312623e-03 6.677519e-03 -6.000000e+00 1.849844e-01 232.85 -2.00 3.48 -2.00 320.95 0.00e+00 2.467376e-03 1.036887e-03 3.181475e-03 -6.000000e+00 8.134758e-03 288.36 -2.00 20.00 -2.00 320.33 0.00e+00 4.418 0.001 302.00 328.00 3 2.4961e+00 7.7091e-03 5.5429e-02 -6.0000e+00 4.6409e-01 5.4039e-02 1.0120e-02 3.5991e-02 -6.0000e+00 4.9827e-01 -1.3588e-01 9.2395e-03 1.7427e-02 -6.0000e+00 2.9675e-01 4.4331e-02 4.4763e-03 4.5623e-03 -6.0000e+00 1.2625e-01 2.9103e-04 -1.5000e-03 1.2932e-04 8.7633e-05 -6.0000e+00 9.2112e-03 -3.4786e-02 1.4000e-04 11 9 0 11 24 0 21.62 23.61 0.70 -0.03479 -0.04606 70 11 1 5 0 739.060 26.32 20.00 23.61 34.40 4.2 1058.49 -77209 -19787 -110966 -56091 -133963 -117834 -98683 -74865 -93997 -120408 -81900 -79919 -75272 -35185 -38686 -35923 -16511 -26749 10451 -11741 -26368 -8505 -6384 -8001 -23925 -2311 -29421 -11465 -24144 -7458 -12751 -12986 6652 -6326 -3348 -5669 -7298 -4424 -8246 5865 4617 5762 -105 5937 1227 -4501 151 5083 -4049 1938 5618 1916 5749 2652 3123 3436 4087 1177 288 1692 793 2790 4059 1639 3661 1442 -692 2720 487 2676 -181 1200 436 1121 -693 -1045 -2535 -3479 -2783 -2202 -302 -1538 -1268 -1300 632 373 1783 1397 723 787 -12 -656 -861 -1199 -1287 -835 514 485 827 -825 -847 -2023 -1200 -1743 -829 -1694 -724 -602 367 764 576 247 -83 236 -510 60 -267 475 64 589 835 985 785 412 475 -558 -310 590 93 -409 -386 -268 -657 -25 17 -108 285 601 144 -4 -243 -709 -535 -91 -1518 -444 -2170 -1569 -1136 -754 -1285 -2340 -1150 -1208 -1300 -507 -710 -763 -327 -645 188 -279 -750 -205 -156 -213 -801 -66 -1122 -359 -843 -231 -473 -561 268 -312 -159 -275 -391 -269 -629 508 459 611 -12 682 150 -593 19 632 -571 272 832 325 1026 528 657 749 909 270 66 378 185 695 1114 507 1157 458 -221 860 171 1039 -79 546 199 486 -283 -389 -895 -1242 -1080 -983 -153 -892 -803 -880 450 284 1407 1140 594 624 -9 -463 -586 -835 -984 -724 505 536 976 -988 -961 -2139 -1183 -1745 -873 -1910 -858 -763 501 1142 935 419 -141 384 -792 89 -402 741 105 1010 1431 1647 1274 646 714 -817 -446 876 152 -745 -762 -510 -1319 -53 39 -255 688 1471 353 -9 -548 -1541 SS 20240622T110753.0Z 8939.463808 213 1 51.79 2 75.45 71.44 104.12 244.11 0.00 1 0.00 1 0 17 1.905e-01 7.950e-03 5.585e-02 2.180e-03 4.986083e-01 1.235130e-03 6.037207e-03 -6.000000e+00 1.180280e-01 232.85 -2.00 3.48 -2.00 320.51 0.00e+00 2.080801e-03 4.741934e-04 2.560120e-03 -6.000000e+00 5.189754e-03 288.36 -2.00 20.00 -2.00 319.81 0.00e+00 3.895 0.001 302.00 328.00 3 2.1664e+00 3.8682e-03 4.8630e-02 -6.0000e+00 2.9611e-01 -6.8892e-03 4.8138e-03 3.0767e-02 -6.0000e+00 3.1789e-01 -5.7811e-02 4.1321e-03 1.4590e-02 -6.0000e+00 1.8932e-01 1.3865e-02 2.0700e-03 3.8160e-03 -6.0000e+00 8.0568e-02 7.1782e-04 -1.2087e-03 7.0893e-05 6.3183e-05 -6.0000e+00 5.8753e-03 -3.5826e-02 1.7428e-04 11 9 0 11 24 0 8.69 23.61 0.49 -0.03583 -0.04491 124 20 1 5 0 417.560 26.32 20.00 23.61 34.82 4.1 1061.25 -74615 -45980 -77538 -53184 -67272 -61373 -63051 -79232 -31107 -52810 -46004 -58205 -34173 -22240 -15075 -12170 -23697 -9722 -14500 -13505 -16434 4608 -16879 742 -4299 -8300 -1930 -9296 -7657 -9087 -13160 -5217 -1756 -6321 -10647 -9101 -4532 -4854 -4695 1107 -473 1867 1 1310 -2422 247 398 -922 314 456 2595 1384 1562 2668 2460 1315 685 -499 1060 2542 778 3921 3701 3109 2089 2043 577 150 1211 2909 1172 2476 1122 609 56 -1741 -3328 -4412 -3175 -2107 -1215 -1716 -1640 -1184 -413 -170 166 1173 1674 1282 646 -81 -1319 -1038 -849 -354 278 714 398 -217 -1102 -2103 -877 -1072 -1284 -1194 -985 -394 406 911 822 737 276 -258 -380 -93 64 301 368 264 393 808 540 700 211 -107 -167 238 0 -93 -358 -461 -616 -13 -23 107 438 472 152 -20 -173 -692 -865 -471 -1184 -637 -871 -723 -792 -1301 -355 -816 -702 -1091 -594 -421 -323 -299 -733 -286 -482 -470 -610 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