File name: Pandora75s1_EssexMD_20240716_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T073444.3Z 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_20240716_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: 20240716 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 20240716T104516.5Z 8963.448108 70 1 51.23 2 81.65 69.34 149.81 296.59 0.00 1 0.00 1 0 33 6.427e-01 3.814e-02 2.711e-01 1.090e-02 7.858696e-01 6.787384e-03 9.818449e-03 -6.000000e+00 4.200674e-01 232.71 -2.00 3.48 -2.00 321.83 0.00e+00 8.888655e-03 3.887517e-03 9.498560e-03 -6.000000e+00 2.124724e-02 290.51 -2.00 20.00 -2.00 321.24 0.00e+00 6.460 0.005 302.00 328.00 3 2.8093e+00 2.6455e-02 9.0760e-02 -6.0000e+00 1.0618e+00 9.1064e-01 3.4687e-02 7.3117e-02 -6.0000e+00 1.1607e+00 -1.1969e+00 2.8211e-02 2.8435e-02 -6.0000e+00 6.8297e-01 4.6541e-01 1.3141e-02 5.8957e-03 -6.0000e+00 2.7789e-01 2.0204e-05 -1.8051e-03 3.5070e-04 1.7374e-04 -6.0000e+00 2.1961e-02 -5.7033e-03 -1.1999e-04 12 9 8 11 40 0 -15.14 25.93 1.66 -0.00570 -0.01927 18 3 1 5 0 2845.860 28.10 20.00 25.93 35.52 4.4 1061.66 -56046 900000 900000 900000 -83672 -100888 116463 900000 -73056 900000 -37531 -44912 -86458 900000 48570 -4722 900000 900000 10059 1781 900000 900000 900000 33976 900000 900000 278891 -81520 -73475 900000 32252 -83101 38008 900000 900000 900000 171505 900000 306999 900000 32236 900000 59085 900000 75496 48924 -322 56135 12896 168742 82649 -11421 106421 -1150 280469 169038 56006 75553 3643 20817 19052 900000 42984 22156 40700 -33991 40869 9323 40899 19842 9414 50431 11402 -1231 21608 12936 7983 31686 692 -13426 -1408 4750 5163 -3083 9601 -7295 -10191 1676 661 -3504 -4611 -1747 -1129 3662 -5614 6079 8785 -7447 2528 6986 -2308 -4010 -4561 -6902 -11386 -4526 -6136 2356 -2449 1402 5128 -510 -3412 368 8 4835 713 -3205 -1261 2475 2051 29 3214 3910 -950 2662 3242 3228 1711 382 1402 -2248 -902 -702 231 -803 -791 1886 538 -182 -180 -734 -1079 -1383 900000 900000 900000 -2815 -3589 1232 900000 -1896 900000 -686 -950 -3325 900000 747 -145 900000 900000 329 63 900000 900000 900000 784 900000 900000 2949 -5486 -4450 900000 837 -8069 1242 900000 900000 900000 1814 900000 3247 900000 2011 900000 3062 900000 3353 2846 -31 3146 1159 3391 4283 -1667 5177 -175 2966 5005 5153 5593 532 2488 2357 900000 5091 3608 5854 -10353 5878 1903 6618 4448 2559 9440 3099 -355 4502 2640 1604 5127 171 -4529 -496 1803 2157 -1496 4366 -4158 -6251 936 372 -1986 -2487 -865 -543 1758 -3331 3754 6197 -6465 2172 6406 -2006 -3558 -3743 -5716 -10368 -4087 -6009 2302 -2538 1583 6237 -706 -4966 507 11 6001 932 -4561 -1853 3615 2982 42 4294 5011 -1233 3237 3887 4100 2492 641 2590 -4671 -1975 -1502 523 -1931 -1951 4583 1313 -427 -398 -1674 -2400 SS 20240716T105839.6Z 8963.457403 74 1 51.46 2 79.21 71.31 152.01 300.71 0.00 1 0.00 1 0 17 5.047e-01 1.546e-02 1.707e-01 3.402e-03 6.571739e-01 1.915396e-03 8.613198e-03 -6.000000e+00 3.098438e-01 232.71 -2.00 3.48 -2.00 321.08 0.00e+00 7.115572e-03 9.332707e-04 7.143074e-03 -6.000000e+00 1.417492e-02 290.51 -2.00 20.00 -2.00 320.41 0.00e+00 5.138 0.002 302.00 328.00 3 2.5805e+00 6.6321e-03 6.9940e-02 -6.0000e+00 7.7772e-01 1.1530e-01 8.8533e-03 5.4094e-02 -6.0000e+00 8.4091e-01 -2.1869e-01 8.1605e-03 2.4798e-02 -6.0000e+00 5.0126e-01 7.8889e-02 3.8896e-03 5.6578e-03 -6.0000e+00 2.0789e-01 1.2090e-04 -4.6182e-04 1.0303e-04 1.6665e-04 -6.0000e+00 1.5666e-02 -7.7538e-03 -7.3852e-06 12 8 8 10 0 0 29.90 25.92 0.98 -0.00775 -0.01122 54 9 1 5 0 952.910 28.10 20.00 25.92 36.48 4.3 1067.47 -243025 -108633 900000 54805 -142389 -157079 -163875 -131199 -138353 -104540 -140697 -67613 -176012 -71500 -102379 -11587 31945 900000 -52447 -65314 900000 184349 77202 -22867 -11118 8314 -25115 -51788 -33009 50234 -24576 -72716 -32184 19628 -28221 52998 -667 50729 32695 29780 228 5777 -5787 29837 6160 3284 -8143 3117 181 15008 2356 -4496 12824 28951 20129 14666 7098 7060 -1908 420 -1514 16130 5598 8288 -2950 -3478 6585 -812 4164 4350 3346 4788 2718 -3148 1915 -1065 -1529 -991 -2207 -3609 -2824 -579 -1753 -1407 1286 -735 -2023 895 1328 -1590 -32 -2023 -1141 -1208 -1719 844 1806 -666 984 275 -1558 -1948 -2004 -1176 -3469 -1458 -1832 37 4 661 2120 637 -553 -64 -291 539 -252 -297 243 1222 810 943 1091 1245 119 335 519 281 605 18 -330 -852 -1011 -138 -54 -28 67 555 200 370 -370 -396 -547 -5348 -753 900000 182 -1459 -1799 -2075 -1305 -1626 -945 -1951 -510 -4881 -905 -2253 -138 286 900000 -1339 -2014 900000 611 614 -523 -240 154 -666 -1786 -952 683 -831 -4774 -1633 644 -1497 1248 -29 1531 1420 1580 18 481 -574 2157 580 328 -940 334 21 1612 317 -723 1909 3984 3217 2577 1379 1374 -400 86 -327 3198 1394 2245 -950 -1128 1924 -264 1407 1660 1424 2110 1219 -1426 760 -396 -536 -350 -876 -1704 -1407 -322 -1089 -934 889 -553 -1621 718 1063 -1270 -24 -1438 -778 -850 -1349 745 1678 -723 1139 323 -1770 -2038 -1951 -1132 -3609 -1579 -2118 45 5 906 3151 1015 -900 -100 -438 779 -370 -455 391 2018 1339 1515 1690 1857 173 468 714 407 970 32 -609 -1692 -2128 -287 -119 -66 159 1334 479 855 -815 -830 -1207 SS 20240716T110907.0Z 8963.464665 77 1 51.44 2 77.29 72.84 153.65 304.28 0.00 1 0.00 1 0 17 3.070e-01 1.006e-02 5.171e-02 1.970e-03 5.769848e-01 1.077458e-03 6.949549e-03 -6.000000e+00 1.873666e-01 232.71 -2.00 3.48 -2.00 320.45 0.00e+00 3.707741e-03 4.270659e-04 3.551929e-03 -6.000000e+00 8.532180e-03 290.51 -2.00 20.00 -2.00 319.70 0.00e+00 4.418 0.001 302.00 328.00 3 2.4529e+00 3.3957e-03 5.5694e-02 -6.0000e+00 4.6930e-01 4.7418e-03 4.2909e-03 3.6204e-02 -6.0000e+00 5.0636e-01 -7.1865e-02 3.7147e-03 1.7734e-02 -6.0000e+00 3.0231e-01 1.9719e-02 1.8435e-03 4.6644e-03 -6.0000e+00 1.2612e-01 3.0169e-04 -5.5637e-05 6.0221e-05 9.3136e-05 -6.0000e+00 9.5220e-03 -7.7840e-03 3.0582e-05 12 8 8 10 0 0 96.15 25.93 0.74 -0.00778 -0.00820 94 15 1 5 0 547.160 28.10 20.00 25.93 37.19 4.3 1073.02 -143788 -105656 900000 -67689 -103560 -90202 -110942 -100239 -96445 -60857 -75699 -84772 -100079 -48264 -45254 -14635 -9299 5540 -43198 -42938 26959 -11036 1839 -11040 -5583 -8987 -27203 -30531 -25281 -69 -18962 -28552 -4792 -481 -10283 -2460 -8776 6018 681 1305 -2373 2070 1219 7297 844 1554 -1294 839 558 6563 168 -1501 4324 9691 4631 4904 534 2774 -1861 468 389 4644 2450 4133 -263 -1225 3048 -182 2096 1929 1723 2457 1347 -505 1113 -844 -1474 -2450 -2565 -2788 -2329 -1812 -1748 -1543 -584 252 -121 1456 1243 402 633 -1173 -908 -848 -1067 127 1034 434 299 131 -1280 -1708 -1899 -948 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