File name: Pandora32s1_GreenbeltMD_20250722_L2Fit_fwvt1c12d20221109p1-8.txt File generation date: 20250723T052203.0Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora32_OF_v2d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20250722_L1_smca1c12d20221109p1-8.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: 20250722 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 1680 1830 Nominal wavelengths inside fitting window [nm]: 492.0337 492.1546 492.2756 492.3965 492.5174 492.6382 492.7591 492.8799 493.0008 493.1216 493.2424 493.3631 493.4839 493.6046 493.7254 493.8461 493.9668 494.0874 494.2081 494.3287 494.4493 494.5700 494.6905 494.8111 494.9317 495.0522 495.1727 495.2933 495.4137 495.5342 495.6547 495.7751 495.8955 496.0159 496.1363 496.2567 496.3771 496.4974 496.6177 496.7380 496.8583 496.9786 497.0989 497.2191 497.3393 497.4595 497.5797 497.6999 497.8201 497.9402 498.0603 498.1804 498.3005 498.4206 498.5406 498.6607 498.7807 498.9007 499.0207 499.1407 499.2606 499.3806 499.5005 499.6204 499.7403 499.8602 499.9800 500.0999 500.2197 500.3395 500.4593 500.5790 500.6988 500.8185 500.9383 501.0580 501.1776 501.2973 501.4170 501.5366 501.6562 501.7758 501.8954 502.0150 502.1345 502.2541 502.3736 502.4931 502.6126 502.7321 502.8515 502.9709 503.0904 503.2098 503.3291 503.4485 503.5679 503.6872 503.8065 503.9258 504.0451 504.1644 504.2836 504.4028 504.5221 504.6413 504.7604 504.8796 504.9988 505.1179 505.2370 505.3561 505.4752 505.5942 505.7133 505.8323 505.9513 506.0703 506.1893 506.3083 506.4272 506.5462 506.6651 506.7840 506.9028 507.0217 507.1405 507.2594 507.3782 507.4970 507.6157 507.7345 507.8533 507.9720 508.0907 508.2094 508.3281 508.4467 508.5653 508.6840 508.8026 508.9212 509.0397 509.1583 509.2768 509.3954 509.5139 509.6324 509.7508 509.8693 509.9877 --------------------------------------------------------------------------------------- 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: Water vapor slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor 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: Water vapor effective temperature [K] Column 28: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for water vapor [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Nitrogen dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen 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: Nitrogen dioxide effective temperature [K] Column 39: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for nitrogen dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 45: 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 46: 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 47: 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 48: 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 49: Ozone effective temperature [K] Column 50: 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 51: 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 52: 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 53: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 54: 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 55: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 56: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 57: Lower limit used for wavelength scaling [nm] Column 58: Upper limit used for wavelength scaling [nm] Column 59: Order of smoothing polynomial Column 60: Smoothing polynomial coefficient, order 0 Column 61: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 62: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 63: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 64: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 65: Smoothing polynomial coefficient, order 1 Column 66: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 67: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 68: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 69: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 70: Mean value of measured data inside fitting window [same units as measurements] Column 71: Wavelength change polynomial coefficient, order 0 Column 72: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 76: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 77: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 78: 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 79: 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 80: 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 81: 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 82: 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 83: 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 84: Atmospheric variability [%], 999=no atmospheric variability was determined Column 85: Wavelength effective temperature [°C], 999=no effective temperature given Column 86: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 87: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 88: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 89: Number of bright count cycles Column 90: Number of dark count cycles Column 91: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 92: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 93: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 94: Integration time [ms] Column 95: Temperature at electronics board [°C], 999=no temperature signal Column 96: Spectrometer control temperature [°C], 999=no temperature signal Column 97: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 98: Temperature in head sensor [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-251: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 252-402: 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 --------------------------------------------------------------------------------------- SQ 20250722T101521.2Z 9334.427329 125 1 41.30 2 88.13 65.33 59.42 77.04 0.00 1 0.00 1 0 43 1.953e-02 1.934e-02 1.342e-03 1.337e-03 9.873273e+03 9.399479e+01 4.864337e+02 -6.000000e+00 1.160724e+03 290.38 -2.00 20.00 -2.00 505.42 0.00e+00 4.826166e-03 3.847888e-05 2.710029e-04 -6.000000e+00 5.671323e-04 290.38 -2.00 20.00 -2.00 501.11 0.00e+00 3.334037e-01 2.633085e-02 1.087220e-01 -6.000000e+00 3.958611e-01 232.46 -2.00 3.47 -2.00 502.59 0.00e+00 16.271 0.076 489.00 513.00 1 5.7255e+00 2.0245e-03 2.7748e-02 -6.0000e+00 3.0481e-02 -2.6293e-02 5.0595e-04 2.4783e-03 -6.0000e+00 7.8299e-03 5.7534e-04 -5.2635e-03 1.4709e-04 1.1055e-04 -6.0000e+00 2.2577e-03 2.5305e-02 9.1850e-05 12 9 9 12 33 1 12.42 21.51 29.46 0.02530 -0.01121 10 3 1 4 0 3753.740 26.41 20.00 21.51 22.59 6.5 994.43 -5392 -4488 -3346 -1572 601 1751 2772 3014 2670 1887 689 -137 -967 -1688 -1980 -2488 -1249 -707 575 881 1203 1410 1966 1816 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123 41 -45 -178 -228 -185 -188 SQ 20250722T123234.0Z 9334.522616 183 9 5.88 2 62.46 85.54 33.76 96.71 0.00 1 0.00 1 0 15 1.935e-03 1.933e-03 7.527e-05 7.520e-05 3.222120e+03 4.877412e+00 2.159105e+02 -6.000000e+00 1.149902e+02 290.38 -2.00 20.00 -2.00 505.29 0.00e+00 7.153409e-04 2.140621e-06 4.467051e-05 -6.000000e+00 5.612109e-05 290.38 -2.00 20.00 -2.00 500.53 0.00e+00 4.878789e-02 1.500460e-03 2.419523e-02 -6.000000e+00 3.892422e-02 232.45 -2.00 3.47 -2.00 502.12 0.00e+00 2.151 0.000 489.00 513.00 1 4.4817e-01 1.1566e-04 3.8117e-03 -6.0000e+00 3.0024e-03 -1.2538e-02 2.9144e-05 5.6839e-04 -6.0000e+00 7.6215e-04 9.0687e-01 6.2948e-04 8.3847e-06 2.5391e-05 -6.0000e+00 2.2266e-04 2.9116e-03 -9.8334e-05 10 0 0 10 0 0 -1.44 22.35 2.06 0.00291 0.00728 1505 353 1 4 0 3.890 27.05 20.00 22.35 27.79 6.3 1021.80 -291 -216 -82 49 117 172 339 451 390 258 130 102 -14 -128 -173 -165 -174 -39 151 79 9 103 181 212 296 205 48 90 -9 -254 -296 -144 -160 -20 103 -10 -162 -53 -32 -101 -30 11 82 135 227 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63 95 117 26 132 103 -40 -53 -33 -73 -52 43 -30 -69 25 88 128 156 145 72 30 -45 -188 -238 -201 -186 SQ 20250722T123704.7Z 9334.525749 186 1 5.87 2 61.59 86.22 32.92 97.55 0.00 1 0.00 1 0 15 1.920e-03 1.917e-03 7.482e-05 7.475e-05 3.146599e+03 4.838510e+00 2.103744e+02 -6.000000e+00 1.140930e+02 290.38 -2.00 20.00 -2.00 505.29 0.00e+00 7.018439e-04 2.128008e-06 4.389383e-05 -6.000000e+00 5.568287e-05 290.38 -2.00 20.00 -2.00 500.52 0.00e+00 4.170865e-02 1.491400e-03 2.374786e-02 -6.000000e+00 3.861954e-02 232.45 -2.00 3.47 -2.00 502.11 0.00e+00 2.091 0.000 489.00 513.00 1 4.4449e-01 1.1499e-04 3.7176e-03 -6.0000e+00 2.9789e-03 -1.2240e-02 2.8974e-05 5.5593e-04 -6.0000e+00 7.5617e-04 9.1877e-01 6.7641e-04 8.3355e-06 2.4697e-05 -6.0000e+00 2.2092e-04 2.2786e-03 -9.2618e-05 10 0 0 10 0 0 -0.51 22.39 2.06 0.00228 0.00697 1548 363 1 4 0 3.780 27.15 20.01 22.39 28.03 6.3 1023.65 -280 -215 -99 51 124 187 338 418 356 254 134 107 7 -114 -127 -137 -154 -1 157 57 -9 69 138 189 269 225 63 108 7 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