File name: Pandora75s1_EssexMD_20241025_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241026T045418.5Z 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_20241025_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: 20241025 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 20241025T115919.3Z 9064.499529 263 1 52.35 2 84.86 110.58 19.80 174.39 0.00 1 0.00 1 0 25 6.260e-01 4.800e-02 4.582e-01 4.132e-02 8.944306e-01 2.516222e-02 1.043260e-02 -6.000000e+00 3.774087e-01 225.27 -2.00 3.48 -2.00 322.12 0.00e+00 5.573928e-03 1.079441e-02 3.419361e-03 -6.000000e+00 1.738163e-02 284.15 -2.00 20.00 -2.00 321.64 0.00e+00 9.612 0.016 302.00 328.00 3 -1.9270e-01 8.7655e-02 1.0758e-01 -6.0000e+00 9.3271e-01 1.8074e+00 1.0052e-01 4.7329e-02 -6.0000e+00 1.0084e+00 -2.0876e+00 6.1618e-02 2.3931e-02 -6.0000e+00 6.0108e-01 7.8755e-01 3.5070e-02 7.8434e-03 -6.0000e+00 2.5874e-01 1.6514e-05 -2.2876e-03 1.2240e-03 1.7645e-04 -6.0000e+00 1.9379e-02 -2.4060e-02 8.9800e-05 12 9 8 11 24 0 31.52 23.15 1.71 -0.02406 -0.04125 30 5 1 5 0 1744.750 26.00 20.00 23.15 15.13 5.6 925.20 164036 53799 149509 65327 12165 32595 -39965 93635 27774 900000 164750 21655 21918 900000 8457 11217 1950 -3186 84978 -63287 132056 2636 -37047 35940 -18212 -26955 -2994 -55252 -54760 900000 -54606 236485 970 245989 197322 -36925 -48796 130301 8180 -13839 99403 27703 69907 43488 195564 221698 -9789 17682 16449 229728 -43772 72146 -1951 102974 -11049 56506 -12241 900000 20099 29582 -12223 8999 -1475 -6888 45037 -132 2589 -9112 37537 51093 13894 28827 16854 629 71128 7523 -15330 -12906 -25027 20547 -5021 19550 10199 15169 11581 15256 6348 2051 24117 -1057 7530 -14186 773 -10039 -14977 15322 101 9497 734 1015 -13068 57 -9640 200 4092 -4314 -8724 -7354 2025 5506 2210 -7202 3593 -1159 1183 -3226 -187 -2020 2178 3728 2543 -850 4542 2874 -2274 8741 -3322 -2317 1060 -2506 1835 -899 3016 -2291 2291 -3188 1512 970 -263 1466 -2413 -115 6604 3665 6019 3506 898 1640 -3754 3769 1211 900000 6632 944 1103 900000 681 978 196 -342 3706 -11465 5316 203 -3977 1809 -1527 -2351 -191 -5375 -4960 900000 -5862 9520 75 9903 7944 -3919 -5893 5246 689 -1621 4002 2332 3838 3024 7873 8925 -1075 1488 1445 9248 -8010 4489 -271 5276 -1820 4756 -2016 900000 2133 2707 -1700 1087 -221 -1210 4945 -23 436 -1801 5083 6731 2847 5169 3269 131 6508 1156 -2805 -2409 -6045 3760 -1396 4865 3061 4608 3857 5137 2658 908 8447 -455 2789 -6225 292 -4567 -8260 7402 67 6614 606 838 -11679 40 -6907 129 2669 -3247 -7375 -6750 1916 5785 2714 -10495 4831 -1619 1572 -4416 -253 -2928 3174 5448 3675 -1218 5943 3703 -2993 10099 -4373 -3292 1682 -4742 3730 -2052 7126 -6144 6272 -9639 4455 2893 -781 4042 -6439 -282 SS 20241025T121051.6Z 9064.507541 266 1 51.54 2 82.78 112.50 19.77 182.28 0.00 1 0.00 1 0 17 3.744e-01 2.273e-02 6.910e-02 3.537e-03 7.589746e-01 2.020389e-03 9.918153e-03 -6.000000e+00 2.250828e-01 225.27 -2.00 3.48 -2.00 321.53 0.00e+00 9.535739e-03 1.024327e-03 8.365310e-03 -6.000000e+00 1.001136e-02 284.14 -2.00 20.00 -2.00 321.02 0.00e+00 7.335 0.007 302.00 328.00 3 4.5454e-02 7.1088e-03 9.0875e-02 -6.0000e+00 5.5528e-01 7.1586e-01 9.1642e-03 5.9424e-02 -6.0000e+00 6.0016e-01 -1.0239e+00 7.5698e-03 3.0365e-02 -6.0000e+00 3.5870e-01 4.2418e-01 3.5941e-03 9.2055e-03 -6.0000e+00 1.5412e-01 1.6303e-04 -2.0092e-03 1.0270e-04 2.6700e-04 -6.0000e+00 1.1519e-02 -2.5875e-02 1.2608e-04 12 8 8 10 0 0 14.57 23.15 0.67 -0.02588 -0.04097 118 19 1 5 0 436.690 26.00 20.00 23.15 16.72 5.5 936.69 -169256 -70267 -82070 -48888 -134194 -91544 -71127 -110786 -123543 -116402 -118374 -108493 -59676 -87397 -18469 35988 -15274 -1512 57425 14110 7171 32971 22063 14764 -29741 -9862 -2208 -1657 -14876 -45107 20566 -9754 41639 13122 34023 33764 3169 16509 27675 1234 27058 24139 18940 44138 24596 54409 33085 28876 32292 46430 28482 29956 38171 34612 18733 21130 22058 17291 19100 12784 8919 7057 14644 17377 13594 5556 6094 9905 10657 18312 8330 10136 4940 -591 3506 -622 -4028 -5819 -3485 -5145 -1192 -5916 -305 120 -811 -1043 1065 1079 1447 -175 -1951 -4139 -2667 -6189 -5447 -2613 -976 -739 -896 -1427 -1496 -3866 -1913 -3187 -2639 -2714 -1728 -1368 -276 510 531 329 -636 -551 -631 -271 -162 502 1016 1560 1758 2214 3431 1826 1751 -150 1552 -557 558 695 126 -22 -45 -93 103 356 168 359 -280 -204 -1075 -1962 -9605 -1696 -2316 -935 -5301 -2124 -1293 -3022 -3912 -3467 -3637 -3300 -1366 -3370 -446 598 -474 -44 972 372 198 672 491 356 -1128 -306 -62 -49 -498 -2209 617 -471 1364 602 1220 1176 157 809 1413 94 1764 1715 1470 2710 1849 3077 2362 2221 2517 3363 2711 3099 3949 3975 2636 2966 3081 2481 2595 1817 1360 1202 2621 3386 2912 1292 1417 2313 2709 4857 2657 3282 1649 -195 1006 -168 -1070 -1634 -1088 -1945 -509 -3032 -163 68 -451 -615 643 667 888 -105 -1235 -2542 -1596 -4068 -3675 -2013 -868 -751 -988 -1588 -1573 -3792 -1706 -2879 -2508 -2743 -1854 -1596 -326 677 785 519 -1030 -873 -965 -404 -246 794 1680 2633 2922 3537 5231 2733 2535 -216 2193 -864 970 1263 255 -47 -98 -216 253 914 441 952 -736 -511 -2552 -4444 SS 20241025T122123.3Z 9064.514853 269 1 51.61 2 80.92 114.29 20.01 189.41 0.00 1 0.00 1 0 17 4.781e-01 1.383e-02 3.134e-02 1.476e-03 6.606163e-01 8.137306e-04 8.189545e-03 -6.000000e+00 2.875001e-01 225.27 -2.00 3.48 -2.00 320.83 0.00e+00 4.282826e-03 3.556244e-04 4.781266e-03 -6.000000e+00 1.278606e-02 284.14 -2.00 20.00 -2.00 320.26 0.00e+00 6.006 0.004 302.00 328.00 3 3.2484e-02 2.6031e-03 7.1806e-02 -6.0000e+00 7.0927e-01 2.1221e-01 3.3857e-03 4.3586e-02 -6.0000e+00 7.6653e-01 -3.1576e-01 3.1398e-03 2.1972e-02 -6.0000e+00 4.5815e-01 1.2602e-01 1.5366e-03 6.1625e-03 -6.0000e+00 1.9689e-01 6.8342e-04 -1.3819e-03 4.3464e-05 1.3019e-04 -6.0000e+00 1.4710e-02 -2.6391e-02 1.5813e-04 12 8 8 10 0 0 12.23 23.15 0.52 -0.02639 -0.03678 263 43 1 5 0 196.220 26.00 19.99 23.15 18.47 5.5 947.58 -192362 -160692 -145818 -139418 -157430 -153758 -140875 -157721 -146494 -139552 -135413 -111846 -92179 -100990 -77051 -37752 -43388 -43499 -14540 -17792 -28098 -34372 -23616 -29370 -32796 -21206 -16460 -21667 -27794 -34845 -13256 -11977 -944 -9322 -6958 -4265 -12851 -4541 3867 2675 6599 6241 7953 9469 7087 10969 7400 6461 7878 8465 7002 9428 10277 10112 6646 5372 6179 4303 3809 2585 4148 4010 5817 6658 4258 2189 1903 1919 4050 4900 3050 3099 2335 118 132 -1822 -3640 -4117 -3691 -3056 -1920 -2737 -1552 -1320 -737 -553 726 926 611 399 26 -1779 -1672 -2551 -1937 -927 -74 337 104 -668 -1336 -1970 -1602 -1376 -1492 -1711 -957 -480 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