File name: Pandora75s1_EssexMD_20240710_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240711T052231.9Z 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_20240710_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: 20240710 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 20240710T104106.7Z 8957.445216 66 1 52.97 2 81.71 68.12 124.33 35.86 0.00 1 0.00 1 0 25 6.530e-01 3.286e-02 4.647e-01 2.382e-02 7.293279e-01 1.489442e-02 1.074055e-02 -6.000000e+00 4.104324e-01 232.78 -2.00 3.48 -2.00 321.79 0.00e+00 8.072175e-03 8.147679e-03 1.504409e-02 -6.000000e+00 1.915919e-02 290.05 -2.00 20.00 -2.00 321.25 0.00e+00 6.502 0.005 302.00 328.00 3 2.5689e+00 5.6837e-02 1.1025e-01 -6.0000e+00 1.0315e+00 6.9728e-01 7.4303e-02 1.0962e-01 -6.0000e+00 1.1112e+00 -8.0551e-01 5.8865e-02 3.6005e-02 -6.0000e+00 6.5910e-01 2.9402e-01 2.7487e-02 7.1752e-03 -6.0000e+00 2.8033e-01 2.6403e-05 -1.3731e-03 7.6031e-04 2.5304e-04 -6.0000e+00 2.0540e-02 -3.5366e-02 2.0904e-04 12 9 8 11 24 0 96.80 23.64 1.59 -0.03537 -0.04568 17 3 1 5 0 3115.790 26.32 20.00 23.64 35.29 4.3 1060.67 -85986 -14594 -164487 900000 -213496 -31193 900000 -98813 44524 117079 -110726 18385 900000 -7074 15132 142757 900000 163365 99996 900000 900000 900000 900000 -103943 -57814 242968 47675 -44410 -84482 900000 -17141 900000 220947 296418 -674 -8420 76864 -12614 186825 -15037 46598 137591 153344 30170 50751 28922 49614 75825 13528 7301 40643 3189 131362 39610 83858 20669 31016 25675 -8190 4981 35494 5721 7967 26992 24222 33618 22441 -4036 45 -4939 1632 10853 18436 -6238 12834 -11097 421 -3177 -9079 -17156 6397 -9011 8379 681 7547 12902 4841 1943 -3459 4066 -6842 -6838 -3833 -5098 345 -2781 3025 -921 559 3144 -2507 -7114 -3320 -4743 -9556 -1560 -3650 -1620 105 3354 -2829 1858 -1697 -722 -1727 2216 2531 -1823 293 2343 4001 -381 5248 2099 3721 32 -997 1894 -1043 -153 457 213 -1185 75 296 410 1414 -1581 -425 -655 -866 493 -1993 -338 -6036 900000 -11134 -723 900000 -2290 1032 2714 -2566 426 900000 -164 351 3309 900000 3787 2318 900000 900000 900000 900000 -6224 -2233 5632 1105 -1591 -4450 900000 -578 900000 5121 6870 -27 -355 1782 -665 4330 -1109 2062 3189 3554 1780 2460 1767 2509 3036 1055 646 2826 356 4429 3589 5124 2439 3333 2867 -1242 651 3515 832 1276 3981 3879 4888 3641 -884 10 -1342 454 2859 4428 -1801 3064 -3035 97 -773 -2631 -6362 2194 -4115 3534 332 3656 6280 2671 1130 -2116 2224 -3917 -3693 -1964 -2765 199 -1927 2307 -835 541 2973 -2371 -6431 -2678 -3870 -8638 -1381 -3519 -1660 117 4066 -4040 2688 -2572 -1058 -2453 2949 3403 -2679 443 3584 5963 -574 7213 2871 4821 41 -1305 2559 -1632 -268 876 441 -2644 176 740 1075 3766 -4395 -1156 -1710 -2135 1137 SS 20240710T105459.3Z 8957.454853 70 1 51.45 2 79.20 70.15 122.79 39.37 0.00 1 0.00 1 0 17 4.799e-01 2.362e-02 3.635e-01 1.664e-02 5.857655e-01 9.892398e-03 8.107814e-03 -6.000000e+00 3.000279e-01 232.78 -2.00 3.48 -2.00 321.30 0.00e+00 1.316462e-02 4.816278e-03 6.502152e-03 -6.000000e+00 1.379609e-02 290.05 -2.00 20.00 -2.00 320.68 0.00e+00 5.134 0.002 302.00 328.00 3 3.4632e+00 3.4527e-02 6.5017e-02 -6.0000e+00 7.5458e-01 3.2233e-01 4.4674e-02 4.2631e-02 -6.0000e+00 8.1215e-01 -3.4237e-01 3.7592e-02 2.5656e-02 -6.0000e+00 4.8208e-01 1.0820e-01 1.8064e-02 1.0308e-02 -6.0000e+00 2.0479e-01 4.8689e-05 -1.6009e-03 5.4970e-04 2.2739e-04 -6.0000e+00 1.5162e-02 -3.3372e-02 5.1717e-05 12 9 8 11 16 0 99.89 23.64 1.53 -0.03337 -0.04540 26 4 1 5 0 1978.700 26.32 19.99 23.64 35.72 4.3 1063.18 12843 -176976 900000 900000 -142171 -148955 -96959 900000 -128935 -94284 -91294 158252 40973 205657 -79389 -114853 152432 93091 900000 -70973 900000 -28612 -19819 -43441 -30109 -19865 33464 -47835 -56680 9303 -49293 101182 -29136 111348 -33657 -32850 1664 -4007 17059 -12853 42433 -7746 15020 7658 72521 4812 53090 35949 8725 14393 -9787 37724 -3405 11315 10972 31651 11287 18514 8597 3792 12719 5656 24993 5800 1667 14685 -871 -3421 9856 788 5244 2639 2342 12060 768 -943 -4204 -7448 398 15400 -1245 1084 -4251 -1724 -2550 -3945 2203 2027 3532 -2058 4843 -4532 158 -4202 -6204 -2227 -203 -529 -1041 -963 -2692 -127 -61 -3777 -2336 -1622 -1315 -3241 2168 -305 750 381 655 1039 -1684 -496 -827 1555 -418 1286 474 4645 1201 -144 991 -2009 1757 -1838 2227 1328 264 -1112 2348 -1396 475 -940 484 483 249 -59 -1376 -867 208 -5736 900000 900000 -3264 -3420 -1571 900000 -2612 -1528 -1480 2565 664 3333 -2359 -5894 2470 1509 900000 -3355 900000 -889 -562 -1728 -1065 -644 641 -2044 -2672 247 -2760 1640 -1803 1804 -2281 -2178 83 -242 980 -1155 2438 -787 1283 733 3739 503 3520 2913 964 1590 -1500 3946 -582 1784 1810 4337 1912 2891 1457 676 2174 1142 4676 1453 454 3462 -236 -973 2657 261 1816 976 859 4182 274 -310 -1342 -2487 136 5291 -585 562 -2535 -1068 -1699 -2832 1560 1478 2536 -1508 3100 -2982 95 -2724 -4534 -1797 -186 -547 -1162 -1073 -2879 -121 -55 -3531 -2283 -1670 -1435 -3877 2684 -427 1131 602 1027 1563 -2472 -698 -1179 2268 -658 2064 765 7015 1817 -213 1387 -2800 2326 -2648 3407 2273 497 -2255 4844 -3169 1125 -2367 1235 1253 643 -147 -3317 -1988 SS 20240710T110447.8Z 8957.461664 73 1 25.13 2 77.41 71.58 121.64 41.76 0.00 1 0.00 1 0 17 2.530e-01 1.260e-02 2.370e-01 9.563e-03 5.256279e-01 5.436154e-03 6.359494e-03 -6.000000e+00 1.577411e-01 232.78 -2.00 3.48 -2.00 320.70 0.00e+00 3.068596e-03 2.218399e-03 2.980753e-03 -6.000000e+00 6.973664e-03 290.05 -2.00 20.00 -2.00 320.00 0.00e+00 4.458 0.002 302.00 328.00 3 3.5366e+00 1.7216e-02 5.4071e-02 -6.0000e+00 3.9535e-01 1.0197e-01 2.1798e-02 3.2552e-02 -6.0000e+00 4.2442e-01 -1.5525e-01 1.8853e-02 1.5889e-02 -6.0000e+00 2.5235e-01 5.4710e-02 9.3867e-03 4.2747e-03 -6.0000e+00 1.0723e-01 1.0033e-04 -7.9294e-04 3.0976e-04 7.0991e-05 -6.0000e+00 7.8473e-03 -3.6186e-02 1.7964e-04 12 9 9 12 17 1 79.41 23.65 0.58 -0.03619 -0.04214 8 3 1 5 0 2791.900 26.32 20.00 23.65 35.81 4.3 1063.91 -142630 11937 -125726 -63410 -57049 -68045 900000 -101546 -90996 -42626 -37612 -22698 16685 -57285 -37371 -17659 -6135 2609 -13723 21899 -24819 29384 881 -25160 -36930 -25482 2185 -8718 -26315 -2565 39574 -24041 12283 -10862 -21900 -11204 -5778 -1487 -3631 -1470 10355 10652 1530 10341 12517 11314 4753 8875 -1514 264 1255 3902 -991 -817 1941 7427 8213 -5421 11286 -6100 799 3084 2650 1980 2936 -22 636 -778 2042 3894 2142 4879 1547 1460 579 -1726 -1699 -2840 -3984 -3604 466 -3543 -1694 -2479 -774 1573 1776 181 -232 785 -1811 258 -2074 -646 -3102 -2240 -190 -73 764 1373 156 -1318 -996 -1488 -1438 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