File name: Pandora75s1_EssexMD_20241011_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T080345.4Z 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_20241011_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: 20241011 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 20241011T114407.5Z 9050.488975 50 1 51.71 2 84.80 103.87 166.46 358.82 0.00 1 0.00 1 0 25 6.002e-01 4.683e-02 3.242e-01 1.942e-02 9.258293e-01 1.147117e-02 9.945014e-03 -6.000000e+00 3.644631e-01 226.52 -2.00 3.48 -2.00 322.27 0.00e+00 -1.172678e-02 5.752620e-03 5.062711e-03 -6.000000e+00 1.787723e-02 285.82 -2.00 20.00 -2.00 321.76 0.00e+00 9.525 0.015 302.00 328.00 3 4.0941e-01 4.3769e-02 1.1321e-01 -6.0000e+00 9.0287e-01 1.6793e+00 5.4434e-02 7.2498e-02 -6.0000e+00 9.8549e-01 -2.0906e+00 3.5229e-02 2.6821e-02 -6.0000e+00 5.8214e-01 7.9398e-01 1.7304e-02 1.0513e-02 -6.0000e+00 2.4365e-01 1.0859e-05 1.3210e-04 5.7389e-04 1.2283e-04 -6.0000e+00 1.9142e-02 1.1357e-02 -1.0611e-04 12 8 8 10 0 0 11.23 23.36 1.94 0.01136 0.01235 27 4 1 5 0 1915.120 26.11 20.00 23.36 16.91 5.5 935.95 31467 89925 900000 197244 -44294 900000 95364 11962 -61658 9892 39016 900000 56496 900000 71408 81714 49130 30523 74519 7974 900000 900000 102294 45591 66297 10627 -9303 -60344 13694 900000 -12040 18767 900000 38884 83634 900000 -11005 47287 900000 292781 19158 900000 248833 196086 -5238 103039 194379 -10051 20410 900000 53964 37080 113880 900000 39314 900000 21882 6031 -16911 27875 41105 183267 6986 29937 27936 -72035 69759 5102 54833 40068 16728 47986 14655 -544 19727 29895 13429 59284 -15292 -17916 2566 -9728 -7966 26562 1840 504 4332 -552 18876 2271 5811 -18536 7004 -7706 -9064 17513 5738 -4281 7715 2622 -8205 -1277 -8412 -5425 -4105 -179 -2736 1047 583 312 12762 1157 104 -2436 -2638 5001 348 -2998 -3528 3652 2125 147 1081 4146 -774 -6651 1615 -7416 5177 2388 930 -1858 -1238 381 -105 -1353 305 1820 -3001 3095 957 2172 -2781 2080 3256 900000 3726 -3835 900000 1965 596 -6671 527 1541 900000 2134 900000 2820 3087 2615 1939 2943 575 900000 900000 2459 2036 2505 693 -687 -6529 635 900000 -786 999 900000 1803 2298 900000 -775 2111 900000 5531 1645 900000 4700 3704 -504 3185 3672 -932 1437 900000 3466 3082 4733 900000 3862 900000 2645 820 -2683 2633 3339 3808 937 3506 3483 -24357 5798 858 6215 5904 3350 7161 2934 -116 3056 3727 1877 5487 -3409 -4873 669 -3289 -2919 7376 695 203 1735 -235 6490 879 2042 -7984 2368 -3290 -4537 7940 3436 -3243 5596 2001 -6556 -864 -5657 -3546 -2800 -124 -2104 854 543 336 13742 1514 142 -3386 -3588 6225 464 -4332 -5365 5250 3027 204 1440 5200 -993 -8882 2013 -11108 7922 4331 1923 -3928 -2810 919 -274 -3724 845 4988 -8445 7743 2275 4790 -6343 SS 20241011T115531.6Z 9050.496893 53 1 51.71 2 82.67 105.74 166.29 9.15 0.00 1 0.00 1 0 17 5.670e-01 1.855e-02 1.386e-01 3.663e-03 7.959538e-01 2.045257e-03 1.008975e-02 -6.000000e+00 3.374085e-01 226.52 -2.00 3.48 -2.00 321.79 0.00e+00 7.795451e-03 1.203111e-03 1.016284e-02 -6.000000e+00 1.524077e-02 285.82 -2.00 20.00 -2.00 321.25 0.00e+00 7.235 0.007 302.00 328.00 3 4.6490e-01 7.8872e-03 9.6289e-02 -6.0000e+00 8.3380e-01 5.5910e-01 1.0888e-02 7.3844e-02 -6.0000e+00 9.0538e-01 -8.0642e-01 9.8998e-03 3.4333e-02 -6.0000e+00 5.4143e-01 3.2433e-01 4.4969e-03 8.1028e-03 -6.0000e+00 2.2622e-01 1.1908e-04 -2.4696e-04 1.0485e-04 2.7121e-04 -6.0000e+00 1.7547e-02 9.5882e-03 -2.8782e-05 12 8 8 10 0 0 0.56 23.35 0.81 0.00959 0.00773 112 18 1 5 0 461.630 26.11 19.99 23.35 18.31 5.5 946.76 -212929 -136112 249453 -118572 -155922 -223643 -111556 -215610 -172502 -156480 -149962 -106235 -95059 -87542 -86040 -31544 -59282 -54322 -56296 -57666 28533 42167 26830 -15957 -46890 -46419 -56936 -53421 -34722 17382 -16224 -25724 53333 -11169 -7469 42756 14926 21820 29042 25534 11476 41359 29501 31851 8124 25182 20646 23261 24161 43579 15732 21612 26902 31236 27289 31132 17322 10308 6592 13250 8720 13987 13875 16215 12719 3264 10470 5440 9964 10737 7444 9280 4664 825 4351 649 -107 161 -3014 -1503 -2808 -1471 -189 -385 -820 531 306 1539 956 -492 -231 -4068 -1348 -4800 -3978 -1184 424 -1339 178 -1294 -2447 -2486 -3734 -2738 -2862 -2567 -1415 -413 41 620 1467 424 148 -875 -961 -561 -329 -397 491 820 1589 1730 2453 1657 1585 -194 251 -535 978 381 482 -376 -278 -30 -182 156 529 455 19 484 -431 -1090 -1279 -5808 -1989 891 -1463 -2532 -6681 -1087 -6231 -3417 -2744 -2581 -1345 -1358 -1507 -1844 -471 -1328 -1270 -1426 -1517 315 397 296 -280 -1157 -1161 -1729 -1527 -831 273 -429 -900 972 -411 -259 886 437 686 1006 1067 615 1758 1475 1593 522 1394 1232 1412 1545 2491 1320 1907 2469 2968 2846 3225 2085 1311 843 1562 1115 1873 2121 2722 2353 670 2031 1170 2267 2742 2143 2715 1399 240 1111 156 -25 39 -862 -507 -1132 -671 -94 -205 -427 289 174 887 551 -277 -135 -2346 -753 -2962 -2532 -863 357 -1318 186 -1382 -2493 -2304 -3247 -2357 -2607 -2477 -1446 -457 50 793 2078 649 230 -1353 -1437 -819 -488 -618 797 1356 2562 2683 3643 2398 2220 -269 348 -807 1656 682 955 -814 -643 -68 -446 399 1379 1197 49 1194 -1008 -2610 -3020 SS 20241011T120601.2Z 9050.504180 56 1 51.93 2 80.72 107.49 165.81 18.25 0.00 1 0.00 1 0 17 5.447e-01 1.219e-02 4.340e-02 1.510e-03 6.905582e-01 8.198412e-04 8.501125e-03 -6.000000e+00 3.241648e-01 226.52 -2.00 3.48 -2.00 321.04 0.00e+00 4.193036e-03 3.947608e-04 5.900322e-03 -6.000000e+00 1.464157e-02 285.82 -2.00 20.00 -2.00 320.43 0.00e+00 5.894 0.004 302.00 328.00 3 4.0976e-01 2.7574e-03 7.3570e-02 -6.0000e+00 8.0107e-01 1.5532e-01 3.6972e-03 4.9779e-02 -6.0000e+00 8.6983e-01 -2.3226e-01 3.5065e-03 2.3887e-02 -6.0000e+00 5.2017e-01 8.5917e-02 1.6718e-03 5.9883e-03 -6.0000e+00 2.1736e-01 5.1446e-04 -2.2216e-04 4.3901e-05 1.4720e-04 -6.0000e+00 1.6857e-02 9.1862e-03 -2.4730e-05 12 8 8 10 0 0 14.14 23.36 0.61 0.00919 0.00752 254 41 1 5 0 202.840 26.11 20.00 23.36 19.74 5.4 954.58 -208360 -177771 -153958 -152990 -173103 -207425 -163781 -193814 -142432 -159111 -142628 -142562 -84098 -97932 -81419 -57235 -63675 -50580 -62319 -60106 -26646 -42056 -40896 -34222 -27152 -47104 -46465 -37327 -36632 -24507 -24946 -27857 -3442 -9920 -17131 -8600 -10200 -8771 3267 8912 1401 5834 5983 7215 2182 12612 6466 7780 3254 8513 4360 6449 8533 9937 7274 7347 4434 2556 2696 2308 2504 5211 5973 5336 4720 2211 3010 1887 3498 4207 3419 3459 2198 -53 -495 -2488 -2936 -2901 -3617 -2512 -1356 -1908 -1856 -1209 -670 119 739 1323 1037 387 366 -1209 -1556 -1774 -1464 -568 215 -116 136 -799 -1280 -2203 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