File name: Pandora75s1_EssexMD_20250611_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250612T051328.2Z 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 v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250611_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: 20250611 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 20250611T104742.2Z 9293.449794 212 1 52.42 2 78.87 69.14 104.27 244.36 0.00 1 0.00 1 0 17 4.300e-01 2.304e-02 1.970e-01 5.970e-03 6.368117e-01 3.398332e-03 9.149259e-03 -6.000000e+00 2.638421e-01 232.66 -2.00 3.48 -2.00 321.15 0.00e+00 5.089856e-03 1.627570e-03 1.011192e-02 -6.000000e+00 1.277441e-02 287.22 -2.00 20.00 -2.00 320.51 0.00e+00 4.996 0.002 302.00 328.00 3 3.6912e+00 1.1611e-02 7.7877e-02 -6.0000e+00 6.6121e-01 1.8815e-01 1.5170e-02 7.1832e-02 -6.0000e+00 7.1468e-01 -3.5351e-01 1.3598e-02 2.5201e-02 -6.0000e+00 4.2472e-01 1.5280e-01 6.4803e-03 5.0051e-03 -6.0000e+00 1.7704e-01 4.6418e-05 3.4685e-04 1.8732e-04 1.7737e-04 -6.0000e+00 1.3668e-02 9.2267e-03 -1.6254e-05 12 9 8 11 32 0 60.47 23.47 1.49 0.00923 0.01183 18 3 1 5 0 2912.110 26.21 19.99 23.47 28.90 6.4 1031.34 -118141 -99061 900000 900000 -200153 -238270 900000 58169 -171110 -5824 -90208 900000 900000 900000 -9369 -57673 -53246 -43971 72906 -70702 137781 -5551 9767 -10885 -31263 41673 -13116 -45367 -35301 900000 1994 -49392 25691 17531 -2454 59009 13723 10207 70443 45336 -12192 56318 62076 26342 43023 17700 13318 42443 8336 45761 14092 15952 20290 29484 16679 35640 4710 4466 2788 -11057 8716 19525 9291 -768 6163 -1210 3779 15589 8442 1324 -1699 7676 -3853 -1976 -2706 -4758 -5509 2843 -4515 -7591 -1610 -2913 -1066 -1468 -2746 -389 -529 908 2638 -1611 216 1195 -1596 -4625 -2433 2512 37 -1356 -242 844 -2368 -2529 -3215 -1668 -1959 -3746 -1427 283 847 1527 4157 -97 9 -1551 -514 2397 188 480 313 1253 1397 904 2306 332 952 -1477 1044 -1072 819 92 -681 -234 167 -748 -599 -794 295 928 -166 819 -474 -64 -1037 -1499 -1204 900000 900000 -6454 -10831 900000 338 -4884 -34 -1287 900000 900000 900000 -129 -1524 -1520 -1255 763 -2952 801 -136 210 -304 -1127 751 -412 -1926 -1355 900000 66 -3216 896 703 -118 1544 614 552 2498 2425 -1297 3242 3537 2206 3102 1678 1347 3307 955 3858 1794 2207 2938 4200 2851 5222 958 906 564 -2559 1723 3803 2253 -227 1777 -372 1101 4187 2675 509 -736 3151 -1754 -835 -1057 -1724 -1902 924 -1764 -3584 -832 -1729 -618 -914 -1854 -273 -390 677 1926 -1182 146 829 -1109 -3134 -1799 2040 36 -1493 -282 970 -2647 -2596 -3122 -1613 -2017 -4166 -1650 347 1134 2068 5990 -152 14 -2390 -748 3289 267 712 491 2008 2221 1402 3411 483 1320 -2030 1512 -1538 1282 162 -1313 -441 331 -1591 -1352 -1879 708 2236 -399 1874 -1039 -133 -2150 SS 20250611T105340.8Z 9293.453945 215 1 51.26 2 77.79 70.01 105.27 245.15 0.00 1 0.00 1 0 17 3.482e-01 1.746e-02 1.045e-01 3.266e-03 6.079488e-01 1.791531e-03 7.744325e-03 -6.000000e+00 2.134537e-01 232.66 -2.00 3.48 -2.00 320.73 0.00e+00 6.592267e-03 7.690286e-04 5.492550e-03 -6.000000e+00 9.587644e-03 287.23 -2.00 20.00 -2.00 320.05 0.00e+00 4.586 0.002 302.00 328.00 3 3.1261e+00 5.8075e-03 6.0416e-02 -6.0000e+00 5.3505e-01 1.0154e-01 7.3625e-03 4.2900e-02 -6.0000e+00 5.7835e-01 -2.0424e-01 6.4388e-03 2.1246e-02 -6.0000e+00 3.4345e-01 8.6087e-02 3.1418e-03 5.8546e-03 -6.0000e+00 1.4188e-01 1.2349e-04 -1.9875e-04 9.9942e-05 1.4648e-04 -6.0000e+00 1.0876e-02 9.4471e-03 2.7219e-05 12 8 8 10 0 0 62.92 23.47 0.84 0.00945 0.00795 37 6 1 5 0 1385.140 26.21 20.00 23.47 29.26 6.3 1034.26 -263281 -45228 900000 -66858 -121788 -168255 900000 -79021 -103982 -31756 -49014 -50792 47688 -48252 -1269 -37518 -41439 -22614 -20199 -46132 33208 7301 19552 -5737 -19585 -11149 -16714 -29854 -22193 42762 6743 -12232 12413 -4305 -4702 18368 12369 5811 13721 18039 -1879 15113 12106 13383 -1327 7582 4430 28392 7238 17163 8802 6549 10084 14109 6919 11390 3326 -185 -1293 -858 4993 6288 2754 4541 4832 2981 1699 -43 3070 1488 1042 4480 -507 -2469 -484 -3737 -1572 -243 -1760 -3296 -1919 -2893 -2320 -1315 -1839 -34 -831 1390 891 -680 243 -38 -1780 -1865 -1488 -335 -155 -381 702 -403 -1626 -2235 -1343 -1080 -1904 -1923 -952 131 942 931 1725 344 -50 -459 -447 401 -292 17 753 670 1458 954 1747 726 1026 -562 183 -516 963 266 -449 -605 25 -411 -88 -21 426 582 -94 499 -452 -484 -1229 -13719 -314 900000 -619 -1833 -3897 900000 -846 -1565 -248 -531 -631 273 -922 -19 -968 -1267 -634 -598 -1866 624 179 436 -174 -717 -391 -628 -1264 -876 953 251 -651 589 -258 -280 872 677 396 1035 1534 -219 1603 1395 1577 -186 995 615 3200 1053 2416 1480 1247 2026 2938 1635 2666 861 -50 -344 -227 1302 1778 907 1622 1800 1120 641 -17 1173 652 503 2179 -257 -1211 -214 -1553 -663 -103 -763 -1695 -1130 -1948 -1699 -1019 -1405 -27 -702 1181 760 -568 206 -31 -1399 -1514 -1223 -313 -167 -427 834 -483 -1863 -2560 -1430 -1158 -2183 -2338 -1125 165 1286 1406 2612 552 -80 -713 -659 612 -455 25 1186 1093 2350 1503 2640 1149 1553 -834 267 -795 1504 464 -800 -1148 49 -869 -184 -46 956 1318 -213 1078 -998 -1018 -2569 SS 20250611T105859.0Z 9293.457627 218 1 51.17 2 76.82 70.77 106.17 245.85 0.00 1 0.00 1 0 17 3.021e-01 1.273e-02 6.315e-02 2.371e-03 5.768195e-01 1.295917e-03 6.929004e-03 -6.000000e+00 1.839162e-01 232.66 -2.00 3.48 -2.00 320.38 0.00e+00 3.797651e-03 4.967416e-04 3.440652e-03 -6.000000e+00 8.277927e-03 287.23 -2.00 20.00 -2.00 319.67 0.00e+00 4.274 0.001 302.00 328.00 3 2.9335e+00 4.0083e-03 5.4259e-02 -6.0000e+00 4.6109e-01 5.4936e-02 4.9698e-03 3.5086e-02 -6.0000e+00 4.9823e-01 -1.1721e-01 4.2329e-03 1.7377e-02 -6.0000e+00 2.9683e-01 4.3600e-02 2.1082e-03 4.8056e-03 -6.0000e+00 1.2307e-01 2.0966e-04 -1.5095e-05 7.2321e-05 9.6036e-05 -6.0000e+00 9.3741e-03 9.3151e-03 1.8127e-05 12 8 8 10 0 0 39.95 23.48 0.79 0.00932 0.00920 52 8 1 5 0 983.910 26.21 19.98 23.48 29.78 6.3 1037.33 -220099 -87802 900000 -4553 -93101 -148611 -52610 -92773 -106255 -42144 -51528 -16489 -26404 -29950 -28587 -12234 -8776 -25363 -12041 -31786 17514 -12541 2560 -23600 -9151 -20029 -16883 -22160 -24237 15015 -2811 -15157 3238 -7390 -10911 4977 -3571 6689 13487 8693 -3527 7816 8839 5790 612 2184 3253 1305 3473 7644 5203 3860 4525 8337 3821 6275 -622 1402 -268 -160 1291 4254 2990 3070 3202 832 1433 -568 3678 432 1593 2541 -107 -1206 -1274 -2949 -1988 -2002 -3056 -2932 -1619 -1935 -2041 -1610 -969 85 291 1356 1255 -41 720 -155 -765 -1693 -1256 -20 244 387 502 -762 -1258 -1592 -1286 -700 -1541 -1540 -599 -111 704 732 1416 181 97 -423 -231 306 161 428 285 247 893 675 1203 688 628 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