File name: Pandora75s1_EssexMD_20241021_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241022T050206.1Z 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 v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241021_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: 20241021 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 20241021T115455.6Z 9060.496477 253 1 51.98 2 84.82 108.74 42.87 270.69 0.00 1 0.00 1 0 25 8.108e-01 6.516e-02 4.996e-01 5.198e-02 8.827955e-01 3.178289e-02 1.029247e-02 -6.000000e+00 4.911101e-01 225.61 -2.00 3.48 -2.00 321.88 0.00e+00 -1.145443e-02 1.074693e-02 9.730648e-03 -6.000000e+00 2.244358e-02 284.63 -2.00 20.00 -2.00 321.26 0.00e+00 9.562 0.015 302.00 328.00 3 2.1199e-01 1.0272e-01 1.2508e-01 -6.0000e+00 1.2128e+00 1.8870e+00 1.2198e-01 1.0461e-01 -6.0000e+00 1.3144e+00 -2.1780e+00 7.0601e-02 2.8927e-02 -6.0000e+00 7.8367e-01 7.9506e-01 3.7800e-02 1.5973e-02 -6.0000e+00 3.3660e-01 1.2208e-05 4.2166e-04 1.5796e-03 1.6459e-04 -6.0000e+00 2.4967e-02 -2.4729e-02 1.9846e-05 12 9 8 11 16 0 59.09 23.38 1.99 -0.02473 -0.02156 23 4 1 5 0 2259.710 26.21 20.00 23.38 17.96 5.6 944.20 160409 177536 386489 96899 68559 -70113 135823 -27170 96922 -30380 102954 225094 -54541 46657 197569 900000 45303 222236 217500 238842 900000 900000 900000 39792 900000 155598 95920 72136 -4742 118798 900000 153716 250787 47521 -20237 900000 -14088 71352 -8359 64234 215444 -30215 37832 114508 176367 31780 32950 26764 -18367 -38049 -19860 2486 91608 35403 -17696 62890 8427 182661 76448 -6168 -1882 -5282 -16286 -5607 87614 60450 9271 28987 311 13270 26527 4823 18392 -11029 3747 -17015 -19935 9704 -8864 14168 -8746 15351 -15657 -14964 3403 32805 7359 -6240 26635 -14682 9228 -32240 17787 -13757 -5635 2036 6482 10785 -5550 -3622 -11623 459 -2081 5285 -9785 -2466 -3056 5882 12869 9661 -3844 3087 -1519 127 10088 -5375 4712 358 3386 -2882 4778 -8056 1865 8955 1206 8284 -4008 -1878 -2137 829 -3125 -1498 -1125 -2015 3572 934 1496 -854 -3030 1018 631 1022 8120 8986 19563 6131 4627 -16562 6875 -4240 4906 -4998 5211 11394 -12193 4133 10000 900000 4586 11249 11009 12090 900000 900000 900000 3189 900000 7876 4855 3651 -420 6013 900000 7781 12694 3007 -2305 900000 -1621 3940 -1192 5025 10905 -6535 4004 5796 8927 2925 2881 2463 -2705 -7179 -3381 366 5902 4236 -3746 6077 1396 9246 5629 -965 -277 -851 -3222 -1084 6854 6120 1579 4268 67 2809 5249 1199 3808 -2791 724 -3602 -4128 1563 -1958 2934 -2656 4168 -6340 -6404 1284 9661 2878 -2814 9302 -7357 3410 -17298 5852 -6754 -2938 1154 4101 7425 -4803 -3043 -9884 314 -1359 3237 -7380 -1835 -2459 4763 11009 9780 -5000 4015 -2114 172 12000 -7373 5987 498 4782 -4391 6579 -12111 2454 10652 1507 9476 -5275 -2662 -3505 1511 -6611 -3397 -2738 -5335 9565 2681 4363 -2562 -9081 2767 1607 2448 SS 20241021T120637.2Z 9060.504597 256 1 51.41 2 82.70 110.67 45.06 272.41 0.00 1 0.00 1 0 17 4.260e-01 2.263e-02 1.355e-01 4.099e-03 7.809181e-01 2.358795e-03 1.008200e-02 -6.000000e+00 2.564814e-01 225.60 -2.00 3.48 -2.00 321.63 0.00e+00 1.183783e-02 1.262483e-03 8.043375e-03 -6.000000e+00 1.141483e-02 284.63 -2.00 20.00 -2.00 321.12 0.00e+00 7.260 0.007 302.00 328.00 3 3.1986e-01 8.5911e-03 8.9609e-02 -6.0000e+00 6.3312e-01 7.3091e-01 1.1217e-02 5.6258e-02 -6.0000e+00 6.8403e-01 -1.0439e+00 9.4631e-03 3.1066e-02 -6.0000e+00 4.0885e-01 4.2829e-01 4.4435e-03 1.1172e-02 -6.0000e+00 1.7567e-01 1.2862e-04 -1.8443e-03 1.1841e-04 2.9548e-04 -6.0000e+00 1.3108e-02 -2.6821e-02 1.3747e-04 12 8 8 10 0 0 20.59 23.37 0.70 -0.02682 -0.04068 98 16 1 5 0 524.560 26.21 20.00 23.37 19.49 5.5 954.12 -184331 -76946 -45989 -51345 -153018 -94651 -33700 -109953 -133027 -106800 -132896 -87715 -32306 -75598 -81261 82235 11799 14748 189310 3807 36488 25863 9159 9135 -31019 394 39026 55577 -11136 -37632 18902 6866 44520 18036 26152 81390 -6832 13177 35390 234 25457 19744 33111 35284 23445 43036 42752 35005 50311 49099 27335 36370 39441 43784 16255 16674 12537 14327 18336 10505 13667 7115 14609 19485 14465 3376 13361 5968 13203 19777 9508 11633 6185 2096 5000 3938 -4650 -4509 -3972 -4677 -789 -7761 1212 -1754 -1145 -618 750 1906 1248 -1189 -2756 -5519 -2417 -5964 -4184 -3061 -1533 264 -960 -882 -2194 -2875 -1919 -2160 -2686 -3226 -1713 -1351 -439 584 1482 587 -578 -1007 -395 -868 -115 -222 179 1484 1875 2923 3296 1566 2199 -117 696 -1434 515 886 505 48 283 -116 -227 50 476 717 -358 -290 -872 -1756 -10180 -1677 -769 -858 -6227 -1926 -355 -2477 -3818 -2367 -3863 -1785 -470 -2197 -3159 747 244 322 757 98 663 498 203 202 -1026 9 624 727 -283 -1367 514 252 1281 714 920 1594 -339 600 1499 16 1506 1310 1998 2129 1612 2477 2529 2322 3016 3199 2436 3271 3736 4252 2170 2259 1774 1947 2309 1407 1835 1123 2435 3473 2879 754 2724 1369 3092 4885 2831 3501 1921 632 1327 954 -1169 -1180 -1183 -1677 -321 -3874 609 -970 -671 -381 433 1226 805 -758 -1678 -3283 -1381 -3754 -2684 -2289 -1329 258 -1031 -950 -2260 -2712 -1658 -1867 -2467 -3165 -1776 -1525 -550 754 2117 903 -915 -1570 -591 -1280 -171 -348 294 2462 3051 4539 4921 2299 3100 -164 972 -2204 883 1720 1007 104 653 -287 -558 127 1242 1884 -937 -722 -2205 -4235 SS 20241021T121707.5Z 9060.511892 259 1 51.60 2 80.81 112.45 47.03 273.91 0.00 1 0.00 1 0 17 5.126e-01 1.461e-02 3.671e-02 1.627e-03 6.811483e-01 9.044182e-04 8.536380e-03 -6.000000e+00 3.087063e-01 225.60 -2.00 3.48 -2.00 320.94 0.00e+00 4.842670e-03 4.102902e-04 5.605948e-03 -6.000000e+00 1.373799e-02 284.62 -2.00 20.00 -2.00 320.37 0.00e+00 5.942 0.004 302.00 328.00 3 2.4570e-01 2.9577e-03 7.3177e-02 -6.0000e+00 7.6204e-01 2.2393e-01 3.8782e-03 4.7713e-02 -6.0000e+00 8.2327e-01 -3.4530e-01 3.6073e-03 2.3525e-02 -6.0000e+00 4.9208e-01 1.3814e-01 1.7502e-03 6.3490e-03 -6.0000e+00 2.1146e-01 5.7217e-04 -1.3898e-03 4.7560e-05 1.5486e-04 -6.0000e+00 1.5774e-02 -2.7207e-02 1.6366e-04 12 8 8 10 0 0 13.70 23.38 0.64 -0.02721 -0.03765 229 37 1 5 0 225.280 26.21 20.00 23.38 20.92 5.4 963.69 -213687 -165434 -160327 -157653 -175209 -180138 -135435 -171026 -142203 -148754 -137044 -122677 -100173 -98762 -86029 -31586 -48347 -44029 -23546 -18050 -26746 -28330 -28306 -26649 -22837 -19473 -20930 -21523 -27163 -49568 -18682 -15067 5049 -9499 -6411 4765 -12117 -3222 3275 2984 3739 8832 6422 12083 5630 12424 11226 9208 10932 11201 8461 10372 13587 11669 7659 6685 5622 4878 4026 3540 3516 5081 5256 6126 5495 3090 3551 1449 3816 5573 3768 3012 2371 103 148 -2854 -2926 -4574 -3401 -3611 -1618 -2990 -1577 -1285 -530 -100 757 1045 1118 501 -257 -1770 -1656 -2908 -1998 -1024 -67 16 -81 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