File name: Pandora75s1_EssexMD_20251026_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20251027T045403.4Z 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 v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20251026_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: 20251026 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 20251026T120105.8Z 9430.500761 50 1 50.95 2 84.70 111.08 137.01 91.90 0.00 1 0.00 1 0 25 8.036e-01 6.239e-02 3.545e-01 2.502e-02 8.454439e-01 1.463495e-02 9.175137e-03 -6.000000e+00 4.916848e-01 225.27 -2.00 3.48 -2.00 322.06 0.00e+00 -1.681347e-02 6.521178e-03 8.360621e-03 -6.000000e+00 2.465619e-02 284.15 -2.00 20.00 -2.00 321.51 0.00e+00 9.392 0.015 302.00 328.00 3 1.1114e+00 5.3539e-02 1.2353e-01 -6.0000e+00 1.2188e+00 1.5581e+00 6.1848e-02 1.0345e-01 -6.0000e+00 1.3349e+00 -2.2214e+00 2.9746e-02 2.2527e-02 -6.0000e+00 7.8638e-01 9.0427e-01 1.6874e-02 2.1336e-02 -6.0000e+00 3.3325e-01 7.5166e-06 2.6551e-03 7.7676e-04 1.5241e-04 -6.0000e+00 2.6646e-02 1.7043e-02 -1.3020e-04 12 8 8 10 0 0 85.59 23.35 2.62 0.01704 0.03699 19 3 1 5 0 2681.110 26.11 20.00 23.35 13.62 7.5 920.60 -20231 900000 900000 900000 18327 48290 900000 -4050 23671 900000 149189 91521 900000 900000 217906 53182 74996 59417 42969 25503 217782 900000 114131 287546 262538 398744 58892 -60402 3934 900000 72823 -14179 900000 -9533 900000 900000 223455 -46109 900000 900000 43830 900000 175489 900000 -25927 900000 23309 120947 -19644 900000 78960 82595 118100 900000 88176 149882 149789 22736 178 9765 169433 105946 15800 3289 23579 15156 39085 2451 62369 115047 18929 130044 -7175 -6785 -5773 29039 17421 88243 33895 -40246 -18304 -19524 -17950 -11103 -4748 7333 -2128 20549 2108 17254 5591 24847 8327 -3591 -8101 12828 7567 -13979 15360 4167 -426 -16164 -4244 -10014 -9441 -11069 4678 17605 -7990 5302 17461 4930 -2398 -2548 188 10515 629 -2281 -4606 1006 5317 -3400 6451 -3915 -339 -10582 8481 -6986 9338 4309 -2583 2472 94 -2160 -757 -1871 -1015 3567 -4737 4012 2059 321 -1734 -6186 900000 900000 900000 2004 3520 900000 -533 2445 900000 4614 5054 900000 900000 5295 4934 5467 4856 3892 2535 5292 900000 4034 6987 6379 9689 3512 -10141 304 900000 2896 -1441 900000 -927 900000 900000 5430 -6926 900000 900000 3776 900000 4264 900000 -3665 900000 1802 3473 -2343 900000 4012 4379 5165 900000 5785 5463 5460 2817 25 1186 4117 5149 2073 527 3151 2173 4464 429 6668 8107 3726 8532 -1778 -1533 -1150 3669 2371 6218 4695 -13789 -5871 -7211 -7153 -4425 -1892 2726 -900 6990 845 5660 1943 6883 2772 -1475 -4016 6047 4376 -11345 9890 2967 -297 -12058 -2661 -6813 -6813 -8661 3376 12320 -8193 5450 17777 6073 -3240 -3399 238 11881 807 -3171 -6872 1440 7132 -4800 8010 -5241 -427 -14502 9809 -10406 13591 7507 -5347 5274 221 -5082 -1874 -4876 -2675 9007 -12651 10179 4969 746 -4091 SS 20251026T121350.6Z 9430.509613 53 1 51.81 2 82.41 113.21 134.66 93.73 0.00 1 0.00 1 0 17 5.064e-01 2.067e-02 2.075e-01 3.815e-03 7.548372e-01 2.118794e-03 9.909691e-03 -6.000000e+00 2.997249e-01 225.27 -2.00 3.48 -2.00 321.69 0.00e+00 1.212557e-02 1.216589e-03 8.835569e-03 -6.000000e+00 1.370166e-02 284.14 -2.00 20.00 -2.00 321.15 0.00e+00 7.031 0.006 302.00 328.00 3 7.8155e-01 7.9568e-03 8.7933e-02 -6.0000e+00 7.3893e-01 5.0202e-01 1.0852e-02 5.7233e-02 -6.0000e+00 8.0353e-01 -7.3142e-01 1.0039e-02 3.1339e-02 -6.0000e+00 4.8070e-01 2.9652e-01 4.5993e-03 1.1134e-02 -6.0000e+00 2.0150e-01 1.0947e-04 -5.0145e-04 1.1133e-04 3.1381e-04 -6.0000e+00 1.5685e-02 1.4977e-02 -1.4757e-05 12 8 8 10 0 0 22.04 23.34 0.91 0.01498 0.01121 99 16 1 5 0 523.230 26.11 19.99 23.34 15.19 7.6 933.57 -268537 -127276 900000 22668 -137564 -151486 233963 -195108 -144797 -86868 -42333 -122762 44921 -48688 -39063 42664 -34754 90150 -44870 -27725 16200 55286 15362 52652 -23687 -891 -20036 1063 -49728 82027 12945 -9863 102006 -19727 31486 82256 54079 -19304 45238 38541 14500 32652 24115 41525 10443 41577 34696 20286 25663 26785 24264 24614 25381 35627 30899 24725 14592 10407 6299 10741 9648 11772 13205 13380 11447 13910 9848 6131 13685 10238 8566 10120 5102 -1323 2705 -2048 -3603 596 -3769 -4200 -3463 -1582 -1153 -1659 -1553 -142 -1436 1515 452 -1339 104 -2444 -2555 -3546 -4506 -1845 2 -496 808 -1182 -1414 -3296 -2960 -2983 -2409 -1378 -1630 -246 -218 1022 1059 -194 -689 -1051 -693 -1125 7 239 301 1023 1796 1954 2451 1369 1486 -53 702 -240 862 822 -94 313 -86 -364 35 30 570 389 -83 395 -539 -764 -1663 -14077 -1894 900000 84 -2094 -2459 870 -4949 -2302 -793 -258 -1910 167 -609 -568 332 -670 549 -1123 -600 225 505 208 548 -538 -16 -440 19 -1480 732 279 -323 1252 -866 808 1255 1167 -991 1431 1506 798 1603 1355 2024 711 2135 1975 1396 1776 1983 2040 2289 2559 3486 3322 2898 1905 1394 855 1387 1317 1747 2206 2504 2317 2763 2059 1396 3187 2784 2578 3098 1608 -416 743 -535 -916 152 -1151 -1539 -1483 -760 -606 -937 -850 -81 -871 914 274 -797 63 -1447 -1501 -2239 -2978 -1397 2 -497 864 -1290 -1456 -3147 -2617 -2645 -2247 -1352 -1718 -279 -276 1328 1528 -302 -1088 -1628 -1031 -1646 10 369 489 1689 2900 3038 3662 1998 2094 -74 973 -362 1459 1456 -185 663 -194 -823 83 76 1453 1005 -211 960 -1241 -1799 -3897 SS 20251026T122435.0Z 9430.517072 56 1 51.70 2 80.52 115.04 132.69 95.23 0.00 1 0.00 1 0 17 4.672e-01 1.197e-02 4.785e-02 1.584e-03 6.546661e-01 8.524708e-04 8.033098e-03 -6.000000e+00 2.765545e-01 225.27 -2.00 3.48 -2.00 320.94 0.00e+00 4.442500e-03 3.936412e-04 5.365092e-03 -6.000000e+00 1.247027e-02 284.14 -2.00 20.00 -2.00 320.33 0.00e+00 5.781 0.003 302.00 328.00 3 6.7670e-01 2.7983e-03 7.0345e-02 -6.0000e+00 6.8183e-01 1.2603e-01 3.6978e-03 4.4976e-02 -6.0000e+00 7.4141e-01 -2.0773e-01 3.5023e-03 2.2984e-02 -6.0000e+00 4.4333e-01 7.8217e-02 1.6869e-03 6.4830e-03 -6.0000e+00 1.8526e-01 4.6170e-04 -5.5214e-05 4.7019e-05 1.4073e-04 -6.0000e+00 1.4453e-02 1.4481e-02 -7.3371e-07 12 8 8 10 0 0 85.73 23.34 0.65 0.01448 0.01407 219 36 1 5 0 236.040 26.11 20.00 23.34 17.12 7.5 945.06 -239256 -167800 -87666 -116753 -160572 -170643 -102469 -178961 -140463 -121803 -113296 -100667 -90725 -77613 -77163 -29502 -45602 -30728 -27537 -26326 -9399 -22336 -33042 -36905 -21083 -31758 -31886 -37157 -27090 -15752 -11624 -14796 448 -12259 -12927 -8107 -9926 -10848 3211 4141 1485 5401 3955 7674 1928 6647 5763 1883 5493 5398 6534 5354 5874 8207 6276 6215 3264 2429 654 2185 2058 4823 4806 5084 3792 2901 2309 1059 2727 3511 2859 3195 1779 -288 91 -1944 -3027 -2158 -3132 -2506 -1978 -1635 -2082 -1508 -821 139 244 1253 1283 174 309 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