File name: Pandora75s1_EssexMD_20240525_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T195136.6Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240525_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: 20240525 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 20240525T104057.8Z 8911.445113 204 1 52.55 2 80.87 70.18 88.86 229.97 0.00 1 0.00 1 0 25 6.909e-01 3.615e-02 3.527e-01 1.250e-02 8.209266e-01 7.464338e-03 8.959304e-03 -6.000000e+00 4.250523e-01 231.79 -2.00 3.48 -2.00 321.82 0.00e+00 -1.749820e-02 4.063043e-03 4.115703e-03 -6.000000e+00 2.132706e-02 285.67 -2.00 20.00 -2.00 321.25 0.00e+00 5.975 0.004 302.00 328.00 3 3.5613e+00 2.7830e-02 8.4778e-02 -6.0000e+00 1.0635e+00 7.6293e-01 3.7290e-02 7.6465e-02 -6.0000e+00 1.1528e+00 -1.1966e+00 3.0781e-02 2.2917e-02 -6.0000e+00 6.8226e-01 4.9439e-01 1.4048e-02 1.9443e-02 -6.0000e+00 2.8503e-01 1.6889e-05 -1.4930e-03 3.8204e-04 2.4158e-04 -6.0000e+00 2.3107e-02 5.0199e-03 -1.1355e-04 12 9 8 11 8 0 97.97 23.43 0.94 0.00502 -0.00620 14 2 1 5 0 3753.120 26.21 19.99 23.43 28.06 4.1 1019.86 153161 198089 900000 900000 900000 -113559 900000 49158 -145440 -20253 -20097 900000 900000 900000 91726 -30260 -68203 30019 36041 3019 199042 900000 63852 5821 -336 208078 96135 -61398 -41745 900000 53097 69512 900000 15839 153797 163634 130325 61729 900000 900000 33780 311588 150943 7579 -3422 16026 95426 40504 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-1327 3684 974 -2578 -8101 1328 2420 -2017 3539 -586 -5005 -3161 -3902 -2956 -7181 -3834 -3357 -109 -4475 -1304 11481 2343 1690 -4361 -2593 5966 1359 -2364 -2189 1690 4757 -114 3724 916 -162 853 3098 4578 1294 141 841 -2921 526 -2511 -1137 -1677 1240 7579 -5055 4623 -2593 -2349 -2491 SS 20240525T105213.0Z 8911.452928 209 1 46.33 2 78.81 71.83 90.48 231.70 0.00 1 0.00 1 0 17 4.417e-01 2.008e-02 2.247e-01 6.319e-03 7.015998e-01 3.639654e-03 8.140856e-03 -6.000000e+00 2.716012e-01 231.79 -2.00 3.48 -2.00 321.29 0.00e+00 1.391240e-03 1.825253e-03 4.864392e-03 -6.000000e+00 1.275215e-02 285.67 -2.00 20.00 -2.00 320.69 0.00e+00 4.971 0.002 302.00 328.00 3 3.6031e+00 1.2579e-02 6.6983e-02 -6.0000e+00 6.8007e-01 1.9607e-01 1.7087e-02 5.0097e-02 -6.0000e+00 7.3680e-01 -3.6239e-01 1.6124e-02 2.1738e-02 -6.0000e+00 4.3692e-01 1.4680e-01 7.5500e-03 5.3571e-03 -6.0000e+00 1.8046e-01 4.8557e-05 -8.6339e-04 1.9206e-04 1.0292e-04 -6.0000e+00 1.4165e-02 3.8950e-03 -6.4993e-05 12 9 9 12 33 1 97.14 23.44 1.09 0.00390 -0.00259 17 3 1 5 0 2573.240 26.21 20.00 23.44 28.71 4.1 1024.31 -123798 -121329 2217 900000 900000 -118511 900000 -88366 -235152 -142064 -151994 12113 -67325 900000 -108239 -127099 -87897 -60530 900000 -111246 900000 900000 28519 302 -39295 53396 -26192 -63518 -62731 900000 -34220 -23717 74699 -26808 23672 32593 -6900 -414 78322 55953 2306 56448 34453 -5582 -9350 2569 16923 17255 2888 20602 10753 4596 7564 35677 15786 36591 3149 7436 3062 2016 7732 19305 10064 2151 10696 -1439 1468 -1793 14136 7658 1507 12248 -4698 4887 -2817 1208 -1837 4547 -3888 -10452 -1264 -3597 -2465 327 -340 -254 303 909 1908 763 -579 2630 -547 -2774 -5703 32 1545 -1714 1509 -147 -1542 -2448 -2560 -2639 -2829 -3751 -1914 127 26 -89 2716 604 892 -621 -904 1740 146 200 -927 -36 857 1025 1909 187 1208 -112 -250 2230 711 903 579 -434 -497 -396 -292 -494 111 1158 -161 -69 -324 -600 -680 -969 -1086 14 900000 900000 -994 900000 -643 -8286 -2145 -2720 75 -715 900000 -2724 -4621 -2458 -1422 900000 -4916 900000 900000 368 6 -1160 657 -725 -2501 -2432 900000 -1242 -919 1241 -1320 699 882 -301 -20 2072 2203 176 2709 2162 -536 -943 234 1364 1433 291 1876 1197 608 1070 4149 2389 4705 581 1313 552 362 1351 3278 2112 544 2626 -399 397 -522 3862 2530 582 4446 -2003 1792 -1022 382 -565 1340 -1392 -4701 -607 -2019 -1508 190 -212 -168 210 642 1331 519 -376 1717 -360 -1947 -4192 26 1417 -1846 1699 -168 -1699 -2488 -2424 -2502 -2840 -4032 -2150 150 34 -120 3918 942 1398 -962 -1344 2446 210 301 -1484 -58 1377 1592 2834 272 1675 -153 -337 3097 1121 1594 1040 -844 -1027 -870 -682 -1125 257 2694 -377 -167 -736 -1298 -1443 SS 20240525T105811.4Z 8911.457077 212 1 51.48 2 77.71 72.70 91.36 232.61 0.00 1 0.00 1 0 17 4.335e-01 1.125e-02 7.358e-02 2.536e-03 6.514624e-01 1.400083e-03 7.635603e-03 -6.000000e+00 2.635593e-01 231.79 -2.00 3.48 -2.00 320.84 0.00e+00 3.530435e-03 6.196266e-04 3.978132e-03 -6.000000e+00 1.205671e-02 285.67 -2.00 20.00 -2.00 320.19 0.00e+00 4.559 0.002 302.00 328.00 3 2.7017e+00 4.5564e-03 5.9503e-02 -6.0000e+00 6.5926e-01 4.2987e-02 5.9588e-03 4.0562e-02 -6.0000e+00 7.1291e-01 -1.4064e-01 5.5729e-03 2.0812e-02 -6.0000e+00 4.2446e-01 5.0053e-02 2.6926e-03 5.9859e-03 -6.0000e+00 1.7637e-01 1.8948e-04 -4.7924e-05 7.6097e-05 1.1793e-04 -6.0000e+00 1.3599e-02 2.9727e-03 -1.0075e-05 12 8 8 10 0 0 64.12 23.44 0.54 0.00297 0.00261 63 10 1 5 0 817.070 26.21 20.00 23.44 29.03 4.1 1026.55 -207404 -168228 900000 -99436 900000 -167494 -117650 -164722 -168192 -145744 -120692 -86584 -75002 -42149 -60941 -41921 -67108 -27349 -49181 -50192 -7783 -2102 -24861 -7006 -17669 -16614 -37633 -32073 -28518 -2343 -14380 -27266 5396 -18580 -15440 -4729 -8689 -3506 4414 2950 2794 11012 1100 121 -1849 3166 5054 3573 -606 6059 4422 1998 5991 9910 4823 8553 -705 2656 -30 -115 2774 4723 4634 2641 3296 2138 2112 -1215 3845 2777 1132 3786 -111 563 -1224 -1317 -1939 -2392 -3718 -3455 -1269 -2080 -2045 -1838 -1134 930 922 1746 1107 252 627 -286 -1025 -1904 -1597 105 738 323 761 -543 -1431 -1666 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