File name: Pandora21s1_Bremen_20230825_L2Fit_fwvt1c1d20201116p1-8.txt File generation date: 20240830T152108.0Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c1p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20230825_L1_smca1c1d20201116p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20230825 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: None First and last pixel inside fitting window: 1712 1862 Nominal wavelengths inside fitting window [nm]: 492.0351 492.1557 492.2762 492.3967 492.5172 492.6377 492.7581 492.8785 492.9990 493.1194 493.2397 493.3601 493.4805 493.6008 493.7211 493.8414 493.9617 494.0820 494.2022 494.3225 494.4427 494.5629 494.6830 494.8032 494.9234 495.0435 495.1636 495.2837 495.4038 495.5238 495.6439 495.7639 495.8839 496.0039 496.1239 496.2439 496.3638 496.4837 496.6036 496.7235 496.8434 496.9633 497.0831 497.2029 497.3227 497.4425 497.5623 497.6821 497.8018 497.9215 498.0412 498.1609 498.2806 498.4002 498.5199 498.6395 498.7591 498.8787 498.9983 499.1178 499.2373 499.3569 499.4764 499.5958 499.7153 499.8347 499.9542 500.0736 500.1930 500.3124 500.4317 500.5511 500.6704 500.7897 500.9090 501.0283 501.1475 501.2668 501.3860 501.5052 501.6244 501.7436 501.8627 501.9818 502.1010 502.2201 502.3391 502.4582 502.5773 502.6963 502.8153 502.9343 503.0533 503.1722 503.2912 503.4101 503.5290 503.6479 503.7668 503.8857 504.0045 504.1233 504.2421 504.3609 504.4797 504.5984 504.7172 504.8359 504.9546 505.0733 505.1919 505.3106 505.4292 505.5478 505.6664 505.7850 505.9035 506.0221 506.1406 506.2591 506.3776 506.4961 506.6145 506.7330 506.8514 506.9698 507.0882 507.2065 507.3249 507.4432 507.5615 507.6798 507.7981 507.9163 508.0346 508.1528 508.2710 508.3892 508.5074 508.6255 508.7437 508.8618 508.9799 509.0980 509.2160 509.3341 509.4521 509.5701 509.6881 509.8061 509.9240 --------------------------------------------------------------------------------------- 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 20230825T073238.9Z 8637.314340 159 1 49.47 2 62.78 109.49 148.00 43.34 0.00 1 0.00 1 0 15 2.819e-03 2.777e-03 1.727e-03 1.719e-03 4.531614e+03 1.056301e+02 3.227738e+02 -6.000000e+00 1.497362e+02 281.79 -2.00 20.00 -2.00 505.25 0.00e+00 5.482847e-04 4.630397e-05 3.624668e-05 -6.000000e+00 7.756276e-05 281.79 -2.00 20.00 -2.00 500.25 0.00e+00 1.294545e-01 3.388899e-02 3.081992e-02 -6.000000e+00 5.511461e-02 231.36 -2.00 3.88 -2.00 501.87 0.00e+00 2.174 0.000 489.00 513.00 1 8.3333e+00 2.5879e-03 4.1419e-03 -6.0000e+00 4.2109e-03 1.0038e-02 6.7730e-04 7.6485e-04 -6.0000e+00 1.1099e-03 3.3804e-04 2.2905e-04 1.4544e-04 4.1055e-05 -6.0000e+00 2.4724e-04 -3.2553e-02 1.2672e-04 10 0 0 10 0 0 99.93 23.05 1.33 -0.03255 -0.03096 33 6 1 4 0 1498.845 26.00 20.00 23.05 28.36 34.5 1008.19 -703 -277 -505 -22 228 378 291 345 383 189 -74 -89 -105 180 -100 -328 56 199 -21 291 141 16 -40 324 134 447 223 -89 -285 199 -163 18 -140 -218 161 317 168 18 -62 -105 -230 -134 -193 27 -263 362 295 159 355 -309 -349 -297 -826 -340 -46 -495 191 292 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-111 58 184 86 -559 -612 -560 SQ 20230825T081144.3Z 8637.341485 181 1 50.09 2 57.43 118.70 143.80 56.20 0.00 1 0.00 1 0 15 2.488e-03 2.464e-03 7.732e-04 7.703e-04 3.618863e+03 4.625919e+01 2.652258e+02 -6.000000e+00 1.321625e+02 281.79 -2.00 20.00 -2.00 505.26 0.00e+00 5.555513e-04 2.072499e-05 3.483458e-05 -6.000000e+00 6.845973e-05 281.79 -2.00 20.00 -2.00 500.30 0.00e+00 8.768242e-02 1.514546e-02 2.433968e-02 -6.000000e+00 4.864579e-02 231.36 -2.00 3.88 -2.00 501.91 0.00e+00 1.851 0.000 489.00 513.00 1 6.9847e+00 1.1562e-03 3.4527e-03 -6.0000e+00 3.7167e-03 6.3677e-03 3.0316e-04 6.1352e-04 -6.0000e+00 9.7962e-04 1.3695e-03 1.2446e-04 6.5629e-05 3.4559e-05 -6.0000e+00 2.1823e-04 -3.2759e-02 1.2918e-04 10 0 0 10 0 0 99.96 23.06 1.27 -0.03276 -0.03190 168 33 1 4 0 298.016 26.00 20.01 23.06 29.28 34.7 1013.38 -466 -335 -251 -25 134 313 423 291 437 313 72 -82 10 -222 -154 -215 -145 23 50 303 232 353 195 206 223 319 336 103 58 -99 -239 -400 -181 -314 82 75 149 -37 -302 -145 -232 45 -89 48 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-11 -159 -36 -176 143 62 103 240 253 -30 99 205 88 285 -139 -125 -395 -430 -368 SQ 20230825T081652.6Z 8637.345054 184 1 50.09 2 56.76 119.97 143.20 57.73 0.00 1 0.00 1 0 22 2.488e-03 2.452e-03 9.360e-04 9.327e-04 3.845731e+03 5.614784e+01 2.713533e+02 -6.000000e+00 1.321420e+02 281.79 -2.00 20.00 -2.00 505.25 0.00e+00 5.804457e-04 2.512570e-05 3.656850e-05 -6.000000e+00 6.844938e-05 281.79 -2.00 20.00 -2.00 500.30 0.00e+00 1.470921e-01 1.831937e-02 2.770490e-02 -6.000000e+00 4.863904e-02 231.36 -2.00 3.88 -2.00 501.91 0.00e+00 1.818 0.000 489.00 513.00 1 7.5098e+00 1.3990e-03 3.5916e-03 -6.0000e+00 3.7162e-03 6.2196e-03 3.6658e-04 6.6981e-04 -6.0000e+00 9.7950e-04 8.0957e-04 4.5874e-05 7.9379e-05 3.5643e-05 -6.0000e+00 2.1819e-04 -3.2879e-02 1.2868e-04 10 0 0 10 0 0 99.95 23.06 1.38 -0.03288 -0.03256 56 11 1 4 0 894.255 26.00 20.00 23.06 29.56 34.7 1014.65 -379 -400 -372 -98 94 292 253 378 175 364 122 156 -64 -57 -228 -107 -30 -75 72 135 229 218 200 117 154 414 301 -10 135 67 -262 -149 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