File name: Pandora75s1_EssexMD_20240719_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240720T052109.1Z 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 v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240719_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: 20240719 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 20240719T104831.4Z 8966.450363 144 1 51.56 2 81.43 70.20 124.42 258.80 0.00 1 0.00 1 0 25 5.505e-01 4.223e-02 2.024e-01 1.127e-02 7.551901e-01 6.668910e-03 9.706324e-03 -6.000000e+00 3.457491e-01 232.61 -2.00 3.48 -2.00 321.38 0.00e+00 9.307664e-03 2.692501e-03 6.743490e-03 -6.000000e+00 1.599411e-02 290.58 -2.00 20.00 -2.00 320.73 0.00e+00 6.317 0.004 302.00 328.00 3 2.6284e+00 2.1849e-02 8.0323e-02 -6.0000e+00 8.6831e-01 1.1328e+00 2.6781e-02 5.3669e-02 -6.0000e+00 9.3603e-01 -1.4830e+00 1.7433e-02 2.5922e-02 -6.0000e+00 5.5586e-01 5.9140e-01 8.6039e-03 6.9879e-03 -6.0000e+00 2.3445e-01 2.7321e-05 -3.3184e-03 3.3298e-04 1.6521e-04 -6.0000e+00 1.7467e-02 -3.1938e-02 1.8704e-04 12 9 8 11 32 0 60.75 23.70 1.32 -0.03194 -0.05687 16 3 1 5 0 3221.800 26.41 20.00 23.70 28.44 4.5 1015.37 91281 207513 22032 900000 -84171 66893 61746 274061 -71175 -58975 -77502 -55860 37505 900000 13366 55311 59257 34627 900000 112617 137457 117675 74003 24151 10974 60882 900000 51792 41545 -15605 50465 -20166 33267 68196 900000 284664 -32458 27113 59669 32511 27954 35841 23057 69936 55237 51905 44587 90690 61278 101243 32065 36038 87940 94688 28660 2670 23245 24013 48197 -314 -8157 39233 4904 8140 7617 -29842 -3181 14768 38881 29693 7858 17760 -5675 -2690 7910 10956 -10217 -540 6725 -9426 6889 -23499 8395 5667 588 -9170 4470 5351 -3660 7182 -8320 -12249 658 -10796 -10015 4080 -3561 -660 -262 4650 -3528 -5860 1443 -2414 -3684 -3104 1408 -347 -3411 2408 4214 421 -2608 -682 -1071 -196 1370 1673 -1145 2659 1977 3927 7059 1225 2825 -3796 1189 1695 -576 -172 1572 -2678 -291 -848 -551 1014 750 240 488 481 -895 -2300 2421 2277 1290 900000 -11008 1802 1602 3008 -6604 -4707 -7191 -4291 1310 900000 867 2704 3015 2349 900000 3483 3154 3052 2806 1470 744 2430 900000 2015 1699 -1168 2215 -2072 2224 3334 900000 3124 -3918 1975 3572 2887 2817 3815 2834 5373 4850 4671 4306 5573 5178 6000 4082 4785 7431 7897 4781 583 4107 4085 6136 -63 -1781 5726 1125 2001 1981 -11200 -904 3598 8022 7495 2682 5672 -2242 -962 2300 2765 -2971 -145 1867 -3621 2631 -13875 3962 2929 339 -6169 2737 3324 -2478 4209 -5341 -7703 354 -6801 -7023 2897 -3193 -660 -258 4853 -3791 -5884 1241 -2135 -3477 -3093 1430 -390 -3982 2991 5726 636 -4132 -1040 -1578 -279 1942 2474 -1836 4234 3144 5923 9951 1766 3861 -5382 1590 2387 -933 -315 3122 -5995 -678 -1940 -1337 2542 1931 629 1259 1185 -2100 -5625 SS 20240719T110236.7Z 8966.460147 149 1 51.59 2 78.85 72.28 126.96 260.61 0.00 1 0.00 1 0 17 4.524e-01 1.205e-02 2.373e-01 5.718e-03 6.597465e-01 3.339077e-03 8.184711e-03 -6.000000e+00 2.799663e-01 232.61 -2.00 3.48 -2.00 321.37 0.00e+00 2.284907e-03 1.735287e-03 6.297476e-03 -6.000000e+00 1.262572e-02 290.58 -2.00 20.00 -2.00 320.77 0.00e+00 4.987 0.002 302.00 328.00 3 2.3255e+00 1.2118e-02 6.9153e-02 -6.0000e+00 7.0140e-01 1.5654e-01 1.6649e-02 5.5523e-02 -6.0000e+00 7.5285e-01 -2.4110e-01 1.5502e-02 2.3098e-02 -6.0000e+00 4.4929e-01 8.3194e-02 7.2826e-03 5.4867e-03 -6.0000e+00 1.9207e-01 1.7503e-04 -1.0907e-03 1.7890e-04 1.2382e-04 -6.0000e+00 1.4092e-02 -3.3375e-02 2.1511e-04 12 9 8 11 24 0 96.82 23.71 0.76 -0.03337 -0.04157 50 8 1 5 0 1031.690 26.41 20.01 23.71 29.10 4.5 1020.06 -179153 -46902 -120458 900000 -143464 -185345 -193671 -76176 -113856 -174062 -103222 -102005 -103176 -114638 38627 -21509 -16622 -46707 -87675 -50428 -40064 -68789 -6045 -8107 -63755 1847 -40207 -45553 -58543 -28613 -19524 -40515 -2919 15373 -9625 -42523 3407 -1255 -2063 -10001 4339 1083 765 14315 8735 10001 -7165 -2280 4813 9551 7654 6501 13797 11298 7841 6957 3087 9083 3072 8146 4382 3606 11935 6269 6743 3579 4693 -1505 3919 3471 2188 2661 325 1596 -95 -3400 1579 -5956 180 -3276 -2289 -3018 -1592 -1136 -332 1752 362 1911 929 1152 -690 37 -1347 -1757 -1581 -666 -205 1020 -834 -1420 -249 -2461 -1114 -1752 -1195 -1736 -1592 -1026 1212 341 75 330 358 -543 -671 -319 97 883 1633 573 1083 506 1505 778 72 -356 -193 328 12 -58 -270 -582 -283 -594 -263 133 483 871 428 -268 -499 -770 -1831 -261 -895 900000 -1266 -2411 -3141 -425 -1039 -3175 -994 -1086 -1359 -2149 215 -240 -202 -852 -2621 -1099 -812 -1882 -92 -136 -2003 32 -1080 -1270 -1839 -710 -514 -1560 -89 421 -337 -2069 114 -51 -103 -649 277 77 58 972 637 808 -703 -220 453 921 832 797 1730 1581 1211 1132 537 1489 524 1308 755 683 2342 1447 1631 890 1151 -408 1103 1113 782 991 123 566 -31 -1056 439 -1816 57 -1267 -1022 -1546 -884 -673 -209 1149 252 1348 660 788 -451 23 -812 -1103 -1104 -531 -188 1047 -938 -1607 -263 -2436 -1016 -1615 -1161 -1797 -1750 -1209 1534 484 118 541 589 -872 -1030 -473 145 1365 2639 966 1805 823 2345 1175 105 -505 -271 483 20 -107 -543 -1257 -644 -1313 -617 326 1209 2203 1077 -651 -1152 -1868 SS 20240719T110822.2Z 8966.464146 152 1 51.28 2 77.79 73.13 128.01 261.36 0.00 1 0.00 1 0 17 3.771e-01 1.032e-02 2.129e-01 4.693e-03 6.171651e-01 2.716247e-03 7.466721e-03 -6.000000e+00 2.333925e-01 232.61 -2.00 3.48 -2.00 321.13 0.00e+00 1.891346e-03 1.315819e-03 4.386126e-03 -6.000000e+00 1.040237e-02 290.58 -2.00 20.00 -2.00 320.51 0.00e+00 4.586 0.002 302.00 328.00 3 2.4486e+00 9.4244e-03 6.0570e-02 -6.0000e+00 5.8469e-01 9.5716e-02 1.2720e-02 4.3910e-02 -6.0000e+00 6.2788e-01 -1.6130e-01 1.1806e-02 1.9572e-02 -6.0000e+00 3.7431e-01 5.5098e-02 5.6450e-03 4.9341e-03 -6.0000e+00 1.6054e-01 2.3758e-04 -1.0207e-03 1.4740e-04 9.9513e-05 -6.0000e+00 1.1701e-02 -3.3234e-02 2.0717e-04 12 9 8 11 16 0 96.50 23.71 0.69 -0.03323 -0.04090 63 10 1 5 0 813.870 26.41 19.99 23.71 29.33 4.5 1021.29 900000 -125086 -50982 -170952 12759 -174656 -62015 -116278 -115663 -168256 -140074 83457 -91770 -26813 -41178 8815 -40906 9799 -52830 -34901 -19726 -38797 -20070 -33620 -14290 -21952 17961 -31561 -32875 -42788 -4259 -6329 -12571 -1835 -5568 -2106 -9521 21342 -2392 2242 5010 -1045 7566 8032 -4862 3542 4599 2124 11139 6392 3400 -8742 3385 2857 10431 637 2261 3572 1294 6423 -193 7786 3799 3356 3407 3747 2797 2679 291 1371 3049 1714 2149 26 -334 -1654 -3262 -4269 -2634 -1786 -3596 -384 -2174 11 -919 433 681 1940 -303 1916 1093 -1121 -961 -2151 -214 -464 707 415 -68 -644 -1560 -1324 -1694 -384 -1563 -1263 -1565 -804 266 1265 664 363 -199 -663 -2 -7 473 100 911 358 279 777 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