File name: Pandora53s1_Potchefstroom-METSI_20250403_L2Fit_fwvt1c2d20230223p1-8.txt File generation date: 20250403T222209.4Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c2p1-8 Local principal investigator: Stuart Piketh Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 53 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora53_OF_v5d20210210.txt Instrument calibration file used: Pandora53s1_CF_v2d20230223.txt Level 1 file used: Pandora53s1_Potchefstroom-METSI_20250403_L1_smca1c2d20230223p1-8.txt Full location name: Gerhard Minnebron Mooi River Ecosystem Trails for Scientific Investigations Short location name: Potchefstroom-METSI Country of location: South Africa Location latitude [deg]: -26.4907 Location longitude [deg]: 27.1322 Location altitude [m]: 1440 Local noon date: 20250403 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: Modification of session 103 "redoing cal analysis" First and last pixel inside fitting window: 1684 1833 Nominal wavelengths inside fitting window [nm]: 492.0989 492.2196 492.3403 492.4609 492.5815 492.7021 492.8227 492.9432 493.0638 493.1843 493.3048 493.4253 493.5458 493.6663 493.7867 493.9072 494.0276 494.1480 494.2684 494.3888 494.5091 494.6294 494.7498 494.8701 494.9903 495.1106 495.2309 495.3511 495.4713 495.5915 495.7117 495.8319 495.9520 496.0722 496.1923 496.3124 496.4325 496.5525 496.6726 496.7926 496.9127 497.0327 497.1526 497.2726 497.3926 497.5125 497.6324 497.7523 497.8722 497.9921 498.1119 498.2318 498.3516 498.4714 498.5912 498.7109 498.8307 498.9504 499.0702 499.1899 499.3095 499.4292 499.5489 499.6685 499.7881 499.9077 500.0273 500.1469 500.2664 500.3859 500.5055 500.6250 500.7444 500.8639 500.9834 501.1028 501.2222 501.3416 501.4610 501.5803 501.6997 501.8190 501.9383 502.0576 502.1769 502.2962 502.4154 502.5346 502.6538 502.7730 502.8922 503.0114 503.1305 503.2496 503.3687 503.4878 503.6069 503.7260 503.8450 503.9640 504.0830 504.2020 504.3210 504.4399 504.5589 504.6778 504.7967 504.9156 505.0344 505.1533 505.2721 505.3909 505.5097 505.6285 505.7473 505.8660 505.9848 506.1035 506.2222 506.3408 506.4595 506.5781 506.6968 506.8154 506.9339 507.0525 507.1711 507.2896 507.4081 507.5266 507.6451 507.7636 507.8820 508.0005 508.1189 508.2373 508.3557 508.4740 508.5924 508.7107 508.8290 508.9473 509.0656 509.1838 509.3020 509.4203 509.5385 509.6567 509.7748 509.8930 --------------------------------------------------------------------------------------- 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: Azimuth motor temperature [°C], 999=no temperature signal Column 100: Humidity in head sensor [%], -9=no humidity signal Column 101: Pressure in head sensor [hPa], -9=no pressure signal Columns 102-251: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 252-401: 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 20250403T051154.6Z 9224.216604 87 1 50.55 2 79.76 78.63 146.42 78.04 0.00 1 0.00 1 0 22 2.541e-03 2.528e-03 5.692e-04 5.685e-04 9.990019e+03 3.780948e+01 6.620111e+02 -6.000000e+00 1.383856e+02 283.29 -2.00 20.00 -2.00 505.30 0.00e+00 2.771456e-03 1.559328e-05 1.660165e-04 -6.000000e+00 7.080316e-05 283.29 -2.00 20.00 -2.00 500.55 0.00e+00 2.865138e-01 1.114191e-02 7.118161e-02 -6.000000e+00 5.004468e-02 226.78 -2.00 3.06 -2.00 502.12 0.00e+00 5.400 0.001 489.00 513.00 1 6.2532e+00 8.5150e-04 9.6915e-03 -6.0000e+00 3.8272e-03 -1.8043e-02 2.2046e-04 1.6675e-03 -6.0000e+00 1.0093e-03 1.8207e-03 2.8257e-04 5.0471e-05 9.6121e-05 -6.0000e+00 2.4019e-04 1.9206e-02 -2.2292e-04 10 0 0 10 0 0 95.62 17.82 1.32 0.01921 0.02117 36 7 1 4 0 1404.050 20.87 15.00 17.82 22.73 48.60 19.3 857.61 35 39 46 385 523 413 458 369 427 361 162 196 -8 -88 -108 51 46 -168 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161 381 601 535 514 275 375 281 154 295 326 37 179 207 176 143 235 -59 28 120 -23 116 227 130 65 121 161 145 204 297 142 150 -32 -142 -249 -199 -229 -71 SQ 20250403T062520.0Z 9224.267593 126 1 50.41 2 64.00 68.86 131.33 74.29 0.00 1 0.00 1 0 15 2.272e-03 2.271e-03 8.837e-04 8.820e-04 4.861678e+03 5.472639e+01 3.373484e+02 -6.000000e+00 1.237273e+02 283.29 -2.00 20.00 -2.00 505.24 0.00e+00 5.212610e-04 2.407589e-05 4.079522e-05 -6.000000e+00 6.335267e-05 283.29 -2.00 20.00 -2.00 500.38 0.00e+00 -8.804779e-03 1.734945e-02 3.322104e-02 -6.000000e+00 4.485674e-02 226.78 -2.00 3.06 -2.00 501.97 0.00e+00 2.268 0.000 489.00 513.00 1 7.5159e+00 1.3263e-03 4.0503e-03 -6.0000e+00 3.4284e-03 4.0677e-03 3.4693e-04 8.0513e-04 -6.0000e+00 9.0745e-04 8.0035e-04 4.9835e-03 8.0015e-05 4.4737e-05 -6.0000e+00 2.1484e-04 3.9430e-02 -5.6298e-04 10 0 0 10 0 0 99.98 18.06 1.75 0.03943 0.07400 31 6 1 4 0 1625.670 21.06 15.00 18.06 24.92 52.60 19.4 872.04 15 87 -100 506 342 298 268 376 193 391 134 20 -104 -125 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