File name: Pandora75s1_EssexMD_20240621_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240708T173218.6Z 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_20240621_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: 20240621 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 20240621T103130.5Z 8938.438548 192 1 35.86 2 81.96 66.21 107.87 247.40 0.00 1 0.00 1 0 17 4.304e-01 2.233e-02 2.907e-01 1.180e-02 7.625854e-01 7.230717e-03 9.880350e-03 -6.000000e+00 2.691172e-01 232.86 -2.00 3.48 -2.00 321.97 0.00e+00 1.233845e-02 4.071510e-03 9.233024e-03 -6.000000e+00 1.233637e-02 288.27 -2.00 20.00 -2.00 321.46 0.00e+00 6.681 0.005 302.00 328.00 3 1.3386e+00 2.8172e-02 8.8856e-02 -6.0000e+00 6.7410e-01 7.7187e-01 3.6645e-02 6.3229e-02 -6.0000e+00 7.2416e-01 -1.0303e+00 2.9694e-02 3.1328e-02 -6.0000e+00 4.3028e-01 4.0347e-01 1.3913e-02 9.4045e-03 -6.0000e+00 1.8242e-01 7.6520e-05 -1.7448e-03 3.6896e-04 2.9856e-04 -6.0000e+00 1.3375e-02 -3.4246e-02 1.8204e-04 12 9 9 12 17 1 89.72 23.58 0.64 -0.03425 -0.04736 30 7 1 5 0 1156.650 26.32 19.99 23.58 31.16 4.2 1037.69 -161105 -63703 -113057 -22736 -116116 -144265 900000 -125287 128340 -85424 198313 -119407 900000 -61252 -13649 -969 -8048 14062 -50025 42998 -48007 14187 -52972 5897 -53885 900000 -51319 -79421 -15206 -44824 79366 -30466 36893 38690 61513 1903 21512 36189 -5528 23019 26044 21642 -4240 67338 30877 51963 27119 81406 24545 14453 23554 14320 47037 1147 53590 6325 33054 8007 24198 20361 7780 9814 16437 28505 2826 25985 12259 22658 4910 12003 7035 18362 15509 4300 15033 -2257 6418 -7548 2328 -4260 -2085 269 -108 -1554 138 141 1520 8502 -901 711 -3916 -3996 -2998 -6337 -3358 -5466 -666 -2473 724 -1346 -4816 -2905 218 -4459 -3899 -3771 -3410 -1334 -1952 2336 -1019 2530 414 -1698 -949 292 -1441 -1277 976 1892 2606 2395 2769 262 2158 595 379 1496 -526 847 -471 371 -604 1239 -36 121 -141 410 257 -580 -523 -1687 -6328 -1099 -3358 -261 -3004 -4423 900000 -3001 1476 -1391 2280 -2974 900000 -1350 -257 -19 -193 294 -2091 719 -1957 297 -2104 129 -2140 900000 -1931 -3818 -381 -1640 995 -1369 964 1051 1286 70 675 1097 -295 1059 1279 1176 -310 2463 1646 2281 1559 2808 1565 1088 1773 1302 3343 138 3977 767 3075 1031 2560 2200 984 1331 2362 4064 552 4033 2185 3777 1067 2732 1836 4433 3780 1097 3128 -503 1240 -1727 546 -1269 -714 103 -46 -713 66 72 799 4272 -496 372 -2017 -1948 -1420 -3264 -1899 -3701 -505 -2193 676 -1292 -4529 -2445 164 -3507 -3218 -3304 -3184 -1328 -2177 2820 -1417 3622 615 -2525 -1350 401 -2046 -1899 1496 2958 4002 3563 3960 371 2890 787 501 2084 -845 1521 -950 803 -1404 3027 -94 335 -399 1172 728 -1584 -1342 -4141 SS 20240621T104632.0Z 8938.448982 198 1 51.65 2 79.28 68.40 110.46 249.34 0.00 1 0.00 1 0 17 4.210e-01 1.316e-02 2.990e-02 1.473e-03 6.286273e-01 8.320059e-04 7.951871e-03 -6.000000e+00 2.607182e-01 232.86 -2.00 3.48 -2.00 320.58 0.00e+00 3.027896e-03 3.348206e-04 4.935679e-03 -6.000000e+00 1.146063e-02 288.27 -2.00 20.00 -2.00 319.92 0.00e+00 5.169 0.002 302.00 328.00 3 8.4250e-01 2.6195e-03 6.5547e-02 -6.0000e+00 6.5412e-01 1.3358e-01 3.3210e-03 4.4981e-02 -6.0000e+00 7.0232e-01 -2.4745e-01 2.8921e-03 1.9707e-02 -6.0000e+00 4.1824e-01 9.8766e-02 1.4327e-03 4.7352e-03 -6.0000e+00 1.7791e-01 6.8681e-04 -1.3527e-03 4.3766e-05 1.0269e-04 -6.0000e+00 1.2982e-02 -3.4336e-02 1.5229e-04 12 8 8 10 0 0 12.03 23.57 0.53 -0.03434 -0.04450 204 33 1 5 0 253.150 26.32 20.00 23.57 32.53 4.2 1046.80 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474 473 840 1108 718 999 761 682 744 821 521 1071 1505 2061 1405 1350 1098 803 592 700 613 1022 1478 1843 1386 1064 681 531 906 1670 1433 1322 1149 89 -146 -590 -1674 -1589 -1671 -1320 -1361 -2033 -1137 -1197 -98 -297 701 867 964 338 -286 -825 -1201 -1784 -1650 -802 117 250 -106 -1008 -1513 -2870 -1777 -1589 -1682 -1743 -904 -544 820 1343 1664 818 612 -142 -223 -232 311 731 1066 1259 1283 2186 1911 1448 1062 85 -103 -35 248 -237 -365 -1081 -601 -466 -32 310 1036 967 -1 -361 -1239 -2108 SS 20240621T105657.4Z 8938.456220 201 1 51.55 2 77.40 69.90 112.27 250.67 0.00 1 0.00 1 0 17 2.614e-01 9.799e-03 1.485e-02 8.461e-04 5.552497e-01 4.681843e-04 6.683128e-03 -6.000000e+00 1.618983e-01 232.86 -2.00 3.48 -2.00 319.94 0.00e+00 2.362164e-03 1.544610e-04 2.511901e-03 -6.000000e+00 7.116276e-03 288.27 -2.00 20.00 -2.00 319.22 0.00e+00 4.454 0.001 302.00 328.00 3 6.1794e-01 1.3795e-03 5.4381e-02 -6.0000e+00 4.0619e-01 4.3919e-02 1.6736e-03 3.2502e-02 -6.0000e+00 4.3610e-01 -1.0272e-01 1.3846e-03 1.5683e-02 -6.0000e+00 2.5970e-01 3.5663e-02 7.0995e-04 4.1618e-03 -6.0000e+00 1.1049e-01 1.8334e-03 -1.1554e-03 2.5623e-05 6.6803e-05 -6.0000e+00 8.0603e-03 -3.4938e-02 1.7051e-04 12 8 8 10 0 0 -0.33 23.58 0.45 -0.03494 -0.04362 360 59 1 5 0 143.170 26.32 20.00 23.58 33.37 4.2 1052.77 -101098 -95603 -81237 -74991 -93410 -86589 -79343 -88832 -85252 -73117 -69149 -63091 -48702 -49254 -36546 -21109 -18239 -13529 -7331 -14209 -5743 -9501 -9206 -11402 -10562 -7310 -7908 -10742 -11751 -14291 -7930 -5994 -2519 -4810 -7167 -6024 -6750 -3850 -506 -830 1305 1608 2141 2735 2281 2819 2563 1589 1741 1675 2117 2848 3317 3921 2727 2617 1884 1046 589 680 1292 2246 3370 3133 2198 1287 424 644 1358 2375 1732 1854 1131 279 -249 -1583 -2874 -3426 -2830 -2278 -1950 -2157 -1736 -1539 -676 -277 538 1012 1063 720 70 -301 -1208 -1304 -1154 -295 309 317 15 -475 -1119 -1787 -1101 -940 -1057 -1208 -726 -294 496 897 895 662 244 -64 -243 -103 198 432 611 471 522 894 954 738 368 -108 -125 170 151 -91 -340 -530 -354 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