File name: Pandora2s1_GreenbeltMD_20250716_L2Fit_fout2c13d20240823p1-8.txt File generation date: 20250717T052521.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c13p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 2 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora2_OF_v2d20210816.txt Instrument calibration file used: Pandora2s1_CF_v13d20240823.txt Level 1 file used: Pandora2s1_GreenbeltMD_20250716_L1_smca1c13d20240823p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20250716 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: New VP starting 20240823 after field enclosure replaced First and last pixel inside fitting window: 198 339 Nominal wavelengths inside fitting window [nm]: 305.1348 305.2759 305.4170 305.5580 305.6991 305.8401 305.9811 306.1221 306.2631 306.4041 306.5451 306.6860 306.8270 306.9679 307.1088 307.2497 307.3907 307.5315 307.6724 307.8133 307.9542 308.0950 308.2358 308.3767 308.5175 308.6583 308.7991 308.9399 309.0806 309.2214 309.3622 309.5029 309.6436 309.7843 309.9250 310.0657 310.2064 310.3471 310.4877 310.6284 310.7690 310.9097 311.0503 311.1909 311.3315 311.4720 311.6126 311.7532 311.8937 312.0343 312.1748 312.3153 312.4558 312.5963 312.7368 312.8772 313.0177 313.1582 313.2986 313.4390 313.5794 313.7198 313.8602 314.0006 314.1410 314.2813 314.4217 314.5620 314.7023 314.8426 314.9829 315.1232 315.2635 315.4038 315.5440 315.6843 315.8245 315.9647 316.1049 316.2451 316.3853 316.5255 316.6657 316.8058 316.9460 317.0861 317.2262 317.3663 317.5064 317.6465 317.7866 317.9267 318.0667 318.2067 318.3468 318.4868 318.6268 318.7668 318.9068 319.0467 319.1867 319.3267 319.4666 319.6065 319.7464 319.8863 320.0262 320.1661 320.3060 320.4458 320.5857 320.7255 320.8654 321.0052 321.1450 321.2848 321.4245 321.5643 321.7041 321.8438 321.9835 322.1233 322.2630 322.4027 322.5423 322.6820 322.8217 322.9613 323.1010 323.2406 323.3802 323.5198 323.6594 323.7990 323.9386 324.0781 324.2177 324.3572 324.4968 324.6363 324.7758 324.9153 --------------------------------------------------------------------------------------- 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 20250716T110756.2Z 9328.463845 208 1 50.42 2 77.84 72.36 42.00 213.99 0.00 1 0.00 1 0 25 2.904e-01 5.306e-03 1.781e-01 2.984e-03 6.128763e-01 1.605891e-03 6.902987e-03 -6.000000e+00 1.674437e-01 232.66 -2.00 3.47 -2.00 321.07 0.00e+00 2.601815e-03 7.598321e-04 9.043776e-04 -6.000000e+00 7.477119e-03 290.25 -2.00 20.00 -2.00 320.42 0.00e+00 4.604 0.002 302.00 328.00 3 1.8045e+00 5.5238e-03 5.6637e-02 -6.0000e+00 4.2015e-01 7.7739e-02 7.5998e-03 3.4535e-02 -6.0000e+00 4.5367e-01 -5.1665e-02 7.4249e-03 1.6830e-02 -6.0000e+00 2.7025e-01 5.3315e-03 3.5625e-03 7.0658e-03 -6.0000e+00 1.1592e-01 4.5547e-04 -8.1889e-04 8.2886e-05 5.9867e-05 -6.0000e+00 7.5811e-03 1.0004e-03 0.0000e+00 10 0 0 10 0 0 99.93 24.23 0.30 0.00100 -0.00515 223 43 1 5 0 226.090 26.51 20.00 24.23 30.99 27.2 1060.82 -22513 -105667 -89423 -97337 -119992 -114759 -102666 46504 -113314 -93975 -101738 -29490 -51441 -37648 -55652 -22958 -10237 -32424 -2627 -943 -6934 -12978 19695 -15631 -20416 -6174 -5797 -22561 -13879 -15244 -4211 9090 4255 -3860 -5939 -3781 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897 996 918 -391 -828 -534 -726 244 327 352 35 820 1798 917 866 -373 7 411 15 -700 -354 -282 -77 194 174 -1048 -198 477 SS 20250716T111250.0Z 9328.467245 211 1 50.34 2 76.93 73.07 42.52 215.60 0.00 1 0.00 1 0 25 1.872e-01 5.128e-03 8.887e-02 1.791e-03 5.746581e-01 9.682210e-04 6.504987e-03 -6.000000e+00 1.079631e-01 232.66 -2.00 3.47 -2.00 320.85 0.00e+00 1.766321e-03 4.165960e-04 4.827262e-04 -6.000000e+00 4.820724e-03 290.25 -2.00 20.00 -2.00 320.14 0.00e+00 4.307 0.001 302.00 328.00 3 1.4369e+00 3.1905e-03 5.2697e-02 -6.0000e+00 2.7090e-01 5.8139e-02 4.2018e-03 3.1257e-02 -6.0000e+00 2.9251e-01 -3.8980e-02 3.9459e-03 1.5595e-02 -6.0000e+00 1.7425e-01 2.0155e-03 1.9389e-03 5.5190e-03 -6.0000e+00 7.4744e-02 9.1456e-04 -8.0255e-04 5.1216e-05 5.3227e-05 -6.0000e+00 4.8877e-03 5.0741e-04 0.0000e+00 11 1 0 11 8 0 99.95 24.25 0.27 0.00051 -0.00552 294 56 1 5 0 171.200 26.62 20.01 24.25 31.22 27.2 1062.57 -47593 -35904 -46954 -94860 -10143 -80915 -55043 -66375 -54428 -66361 -58042 -58018 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-1109 -863 -764 -229 54 -412 322 558 843 209 715 623 789 248 162 596 306 -427 -651 -384 -72 265 -1024 -982 -1862 -806 -524 23 -478 178 -465 313 311 964 842 676 356 -563 -727 -697 555 222 694 -144 927 1473 1122 184 -38 10 316 81 -246 -433 -480 -11 -193 197 -873 -267 577 SS 20250716T112238.3Z 9328.474054 214 1 2.72 2 75.10 74.48 43.61 218.74 0.00 1 0.00 1 0 17 1.877e-01 1.220e-02 1.379e-01 8.144e-03 5.094707e-01 4.221228e-03 5.894996e-03 -6.000000e+00 1.082873e-01 232.66 -2.00 3.47 -2.00 319.69 0.00e+00 2.531424e-03 1.256871e-03 5.832592e-04 -6.000000e+00 4.833556e-03 290.25 -2.00 20.00 -2.00 318.88 0.00e+00 3.812 0.001 302.00 328.00 3 2.7385e+00 1.2264e-02 4.6495e-02 -6.0000e+00 2.7171e-01 9.5319e-02 1.4683e-02 2.6908e-02 -6.0000e+00 2.9335e-01 -9.2415e-02 1.1641e-02 1.3419e-02 -6.0000e+00 1.7475e-01 2.9989e-02 6.0672e-03 4.2898e-03 -6.0000e+00 7.4990e-02 4.2249e-04 -8.4033e-04 2.2274e-04 4.4040e-05 -6.0000e+00 4.9001e-03 -2.0888e-03 0.0000e+00 12 9 9 12 9 1 67.37 24.30 0.11 -0.00209 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