File name: Pandora75s1_EssexMD_20241028_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241029T045423.9Z 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 v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241028_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: 20241028 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 20241028T121258.8Z 9067.509014 165 1 51.20 2 83.05 113.65 44.40 135.49 0.00 1 0.00 1 0 17 5.210e-01 2.323e-02 3.387e-01 1.286e-02 8.440112e-01 7.832504e-03 1.032713e-02 -6.000000e+00 3.138797e-01 225.01 -2.00 3.48 -2.00 322.20 0.00e+00 1.236106e-02 4.717060e-03 7.919039e-03 -6.000000e+00 1.511002e-02 283.78 -2.00 20.00 -2.00 321.76 0.00e+00 7.571 0.008 302.00 328.00 3 5.2419e-01 3.1358e-02 9.4099e-02 -6.0000e+00 7.7663e-01 1.0519e+00 4.0135e-02 5.6797e-02 -6.0000e+00 8.4087e-01 -1.3298e+00 3.3349e-02 2.9351e-02 -6.0000e+00 4.9978e-01 5.1217e-01 1.5706e-02 1.0370e-02 -6.0000e+00 2.1497e-01 6.6585e-05 -2.3734e-03 3.9342e-04 3.1689e-04 -6.0000e+00 1.6198e-02 -2.3273e-02 8.5850e-05 12 9 8 11 16 0 -1.12 23.00 0.86 -0.02327 -0.04111 61 10 1 5 0 839.260 25.90 20.00 23.00 12.48 5.5 906.88 126677 -68463 -37200 -102163 -74795 -132916 -67448 -166425 900000 -112970 900000 -75280 900000 122710 -15290 -27924 -58610 20185 -20121 322567 9238 -66629 24349 49752 -13196 -6698 -18745 -19147 85732 -77616 -8153 145005 5638 62144 18550 17735 67493 24619 -9751 139612 60053 75838 64511 50317 56502 63882 37974 32274 17373 -9201 18702 59163 69146 36411 70864 27636 37855 40565 35948 16645 5138 55037 17881 26592 2454 35316 10219 24569 1536 16183 15540 20385 17251 5878 21225 1949 18529 -5181 7026 22 -276 3973 -5175 611 -1119 -878 -3275 1198 -2463 -1542 -1498 2202 -4436 -3622 -9868 -1855 3976 -3677 -627 -3219 -190 -2789 -1121 -4112 -4167 -3832 -3518 -2303 1260 1475 -597 2158 -563 -1469 -1997 -1586 1594 -1291 1825 1244 2982 3667 2990 954 531 -143 -1275 790 -184 699 -762 422 546 12 -139 -391 613 122 771 -1206 197 -1614 1587 -1716 -699 -3414 -1640 -4581 -1127 -7300 900000 -2831 900000 -1415 900000 1538 -319 -787 -2509 422 -651 4042 212 -3062 472 737 -361 -168 -513 -502 1074 -3979 -251 1817 206 1345 592 546 1307 813 -522 1909 1984 2246 2205 2006 2124 2256 1774 1655 1089 -807 1364 3168 3624 2821 4037 2456 3019 3050 2703 1479 527 3762 2017 3090 386 4023 1513 3303 285 2913 3045 4292 3632 1282 3564 357 2740 -1019 1409 6 -84 1334 -2095 249 -492 -406 -1613 575 -1216 -725 -661 892 -1912 -1661 -5540 -1139 2721 -3128 -562 -2969 -160 -2181 -793 -2973 -3175 -3088 -3033 -2153 1280 1710 -794 2996 -820 -2128 -2817 -2190 2175 -1901 2733 1911 4409 5170 4088 1286 695 -185 -1672 1101 -297 1279 -1580 941 1302 31 -382 -1125 1784 359 2220 -3364 507 -3974 SS 20241028T122330.2Z 9067.516321 168 1 51.70 2 81.20 115.43 43.07 138.69 0.00 1 0.00 1 0 17 5.144e-01 1.343e-02 1.304e-01 4.170e-03 7.352108e-01 2.407027e-03 9.035048e-03 -6.000000e+00 3.089126e-01 225.01 -2.00 3.48 -2.00 321.66 0.00e+00 5.908654e-03 1.320834e-03 6.929771e-03 -6.000000e+00 1.373320e-02 283.78 -2.00 20.00 -2.00 321.18 0.00e+00 6.178 0.004 302.00 328.00 3 5.4642e-01 8.9400e-03 7.9851e-02 -6.0000e+00 7.6174e-01 3.9384e-01 1.2454e-02 5.7315e-02 -6.0000e+00 8.2352e-01 -5.5193e-01 1.2062e-02 2.9346e-02 -6.0000e+00 4.9219e-01 2.1680e-01 5.5919e-03 8.3090e-03 -6.0000e+00 2.1149e-01 3.0982e-04 -1.3990e-03 1.2654e-04 2.1556e-04 -6.0000e+00 1.5825e-02 -2.4195e-02 1.7042e-04 12 9 8 11 16 0 57.05 22.95 0.50 -0.02419 -0.03471 145 24 1 5 0 356.500 25.79 20.00 22.95 13.38 5.5 912.65 -143730 -157800 -95967 -187832 -163942 -183857 -186462 -124233 -148009 -161669 -139460 -122066 -99837 -110945 -75158 -58359 -81968 -23928 -49093 -53676 -23592 -43960 -43864 -68486 -45507 -55204 -31863 -67028 -37439 -30360 -20807 -11296 -22584 -20061 -25868 -11944 -12198 11104 4533 11357 11302 2334 18236 12196 7514 4357 23008 3851 34520 7552 18428 14853 22449 15200 8254 14891 7053 10148 803 11619 4497 10103 6865 9279 9435 5073 8504 1745 7620 5631 7679 5229 5299 2890 421 -1578 -4361 -3127 -5181 -1341 -1336 -346 -925 -1259 15 -415 722 818 1913 -1164 204 -3333 -1566 -3054 -2290 -1490 28 78 -384 -537 -1840 -1718 -2818 -1192 -2608 -2076 -1919 -244 181 442 790 249 652 -1080 -680 -218 427 330 549 679 1072 1605 1324 1729 -129 417 -343 607 -219 66 -329 -267 -178 -345 88 41 519 334 151 -91 -662 -910 -1363 -2032 -715 -3436 -2166 -2803 -2969 -1240 -2024 -2689 -1959 -1624 -1328 -2132 -1278 -1014 -2060 -371 -1052 -1250 -410 -926 -940 -1974 -1093 -1510 -695 -2031 -844 -696 -515 -305 -785 -727 -975 -388 -428 357 186 512 572 139 971 708 464 283 1276 296 2063 639 1551 1443 2218 1749 1077 1883 981 1353 114 1464 631 1475 1175 1735 1864 1050 1715 394 1790 1527 2229 1613 1605 841 114 -396 -1071 -787 -1510 -447 -522 -153 -452 -660 8 -244 439 508 1170 -706 115 -1840 -838 -1756 -1480 -1115 24 77 -406 -569 -1858 -1577 -2430 -1014 -2380 -1998 -1970 -268 220 603 1191 400 1051 -1727 -1039 -324 640 517 903 1141 1769 2543 2030 2546 -186 583 -482 907 -373 126 -696 -607 -391 -810 218 107 1373 893 400 -230 -1585 -2071 SS 20241028T123633.2Z 9067.525384 173 1 51.54 2 78.94 117.70 41.54 142.88 0.00 1 0.00 1 0 17 3.993e-01 1.190e-02 2.102e-02 1.056e-03 6.252055e-01 5.765249e-04 7.695458e-03 -6.000000e+00 2.398399e-01 225.01 -2.00 3.48 -2.00 320.39 0.00e+00 3.392241e-03 2.216724e-04 3.721919e-03 -6.000000e+00 1.066140e-02 283.78 -2.00 20.00 -2.00 319.79 0.00e+00 5.029 0.002 302.00 328.00 3 4.4040e-01 1.7472e-03 6.1388e-02 -6.0000e+00 5.9142e-01 1.1559e-01 2.1954e-03 3.7975e-02 -6.0000e+00 6.3935e-01 -1.7765e-01 1.9802e-03 1.9156e-02 -6.0000e+00 3.8212e-01 6.5725e-02 9.9518e-04 5.4325e-03 -6.0000e+00 1.6422e-01 1.1798e-03 -1.1360e-03 3.1076e-05 1.0229e-04 -6.0000e+00 1.2284e-02 -2.4658e-02 1.9626e-04 12 8 8 10 0 0 93.15 22.90 0.53 -0.02466 -0.03319 302 49 1 5 0 170.640 25.79 20.00 22.90 14.71 5.5 922.44 -171875 -127799 -126096 -126774 -137536 -143159 -112244 -126421 -112174 -112546 -109308 -98589 -76378 -71616 -56040 -32154 -31070 -31393 -9504 -16984 -19983 -19213 -20294 -20350 -19120 -17604 -18790 -18249 -19883 -23724 -14651 -9384 -2598 -6561 -5818 -6797 -7554 -5039 554 1360 4043 3328 3623 5549 3390 6891 4430 2222 3413 5631 4380 5019 6416 6105 4412 3813 3467 2697 2332 1659 1710 2046 4413 4677 3536 1790 1301 943 1841 3126 1950 2243 1391 346 -513 -2107 -3140 -3719 -3085 -2572 -1893 -2534 -1600 -1381 -882 -372 483 1055 777 511 -122 -947 -1178 -1941 -1250 -509 242 402 235 -522 -1280 -1852 -1377 -1119 -1306 -1426 -874 -205 548 972 930 717 170 -36 -294 -67 156 430 612 543 704 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