File name: Pandora21s1_Bremen_20230321_L2Fit_fwvt1c9d20211128p1-8.txt File generation date: 20250424T083433.2Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c9p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v9d20211128.txt Level 1 file used: Pandora21s1_Bremen_20230321_L1_smca1c9d20211128p1-8.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: 20230321 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]: 492.0205 492.1410 492.2615 492.3820 492.5025 492.6230 492.7434 492.8638 492.9842 493.1046 493.2250 493.3454 493.4657 493.5861 493.7064 493.8267 493.9469 494.0672 494.1875 494.3077 494.4279 494.5481 494.6683 494.7884 494.9086 495.0287 495.1488 495.2689 495.3890 495.5091 495.6291 495.7491 495.8692 495.9892 496.1091 496.2291 496.3490 496.4690 496.5889 496.7088 496.8287 496.9485 497.0684 497.1882 497.3080 497.4278 497.5476 497.6673 497.7871 497.9068 498.0265 498.1462 498.2659 498.3855 498.5052 498.6248 498.7444 498.8640 498.9836 499.1031 499.2227 499.3422 499.4617 499.5812 499.7007 499.8201 499.9396 500.0590 500.1784 500.2978 500.4172 500.5365 500.6559 500.7752 500.8945 501.0138 501.1330 501.2523 501.3715 501.4908 501.6100 501.7291 501.8483 501.9675 502.0866 502.2057 502.3248 502.4439 502.5630 502.6820 502.8010 502.9200 503.0390 503.1580 503.2770 503.3959 503.5148 503.6338 503.7527 503.8715 503.9904 504.1092 504.2280 504.3469 504.4656 504.5844 504.7032 504.8219 504.9406 505.0593 505.1780 505.2967 505.4153 505.5340 505.6526 505.7712 505.8898 506.0083 506.1269 506.2454 506.3639 506.4824 506.6009 506.7193 506.8378 506.9562 507.0746 507.1930 507.3114 507.4297 507.5481 507.6664 507.7847 507.9030 508.0212 508.1395 508.2577 508.3759 508.4941 508.6123 508.7305 508.8486 508.9667 509.0849 509.2029 509.3210 509.4391 509.5571 509.6751 509.7931 509.9111 --------------------------------------------------------------------------------------- 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 20230321T101437.6Z 8480.426824 211 1 48.83 2 55.27 156.22 60.03 160.27 0.00 1 0.00 1 0 15 2.682e-03 2.656e-03 1.182e-03 1.177e-03 3.952803e+03 6.790353e+01 2.960138e+02 -6.000000e+00 1.353389e+02 269.02 -2.00 20.00 -2.00 505.24 0.00e+00 5.421543e-04 3.075466e-05 3.430699e-05 -6.000000e+00 7.155309e-05 269.02 -2.00 20.00 -2.00 500.28 0.00e+00 1.224884e-01 2.318769e-02 2.930160e-02 -6.000000e+00 5.248480e-02 225.51 -2.00 3.88 -2.00 501.89 0.00e+00 1.750 0.000 489.00 513.00 1 7.9489e+00 1.7656e-03 3.6198e-03 -6.0000e+00 3.9943e-03 7.6326e-03 4.6254e-04 7.3753e-04 -6.0000e+00 1.0564e-03 5.2813e-04 9.4310e-04 9.9658e-05 4.6563e-05 -6.0000e+00 2.3500e-04 -1.1578e-02 -2.8273e-07 10 0 0 10 0 0 97.07 22.23 1.54 -0.01158 -0.00504 13 3 1 4 0 3755.459 25.28 20.00 22.23 17.17 31.9 1017.84 -662 -469 -480 -161 -13 217 626 385 159 188 18 10 137 -180 -402 -238 31 223 15 267 143 291 -76 -55 161 451 285 331 -76 -96 -320 -148 -323 51 64 131 152 51 -146 -155 -198 90 -271 203 209 110 226 66 237 -10 -347 -419 -674 -205 -69 -244 -189 186 221 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169 -228 -315 -493 -508 SQ 20230321T102304.2Z 8480.432688 217 1 50.90 2 54.78 158.73 59.59 162.59 0.00 1 0.00 1 0 15 2.748e-03 2.732e-03 1.271e-03 1.266e-03 4.099091e+03 7.333284e+01 3.083497e+02 -6.000000e+00 1.386561e+02 269.02 -2.00 20.00 -2.00 505.25 0.00e+00 5.095507e-04 3.307621e-05 3.444257e-05 -6.000000e+00 7.330793e-05 269.02 -2.00 20.00 -2.00 500.27 0.00e+00 1.339830e-01 2.493075e-02 3.015480e-02 -6.000000e+00 5.377324e-02 225.51 -2.00 3.88 -2.00 501.89 0.00e+00 1.729 0.000 489.00 513.00 1 8.0349e+00 1.8965e-03 3.6547e-03 -6.0000e+00 4.0923e-03 8.6903e-03 4.9798e-04 7.6096e-04 -6.0000e+00 1.0824e-03 4.8569e-04 7.3522e-04 1.0698e-04 4.7399e-05 -6.0000e+00 2.4076e-04 -1.1771e-02 -2.9805e-06 10 0 0 10 0 0 96.54 22.24 1.56 -0.01177 -0.00667 15 3 1 4 0 3392.839 25.28 20.00 22.24 16.94 31.9 1017.02 -575 -381 -360 -208 62 254 567 293 246 435 191 203 -365 -19 -250 -167 -156 131 -55 413 294 63 81 101 106 344 345 126 -42 -126 -284 -72 -444 -213 -128 272 296 -54 -38 -239 -115 39 -409 38 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213 -150 153 114 183 137 -62 -161 -224 178 -111 23 136 270 152 99 172 271 238 -63 -132 -283 -578 -567 SQ 20230321T111613.1Z 8480.469596 251 1 49.59 2 52.95 175.05 58.00 177.61 0.00 1 0.00 1 0 15 2.887e-03 2.849e-03 1.229e-03 1.225e-03 4.350495e+03 7.124807e+01 3.330684e+02 -6.000000e+00 1.456624e+02 269.03 -2.00 20.00 -2.00 505.25 0.00e+00 5.336496e-04 3.201145e-05 3.445476e-05 -6.000000e+00 7.700935e-05 269.03 -2.00 20.00 -2.00 500.28 0.00e+00 1.202776e-01 2.411561e-02 3.050487e-02 -6.000000e+00 5.648455e-02 225.51 -2.00 3.88 -2.00 501.90 0.00e+00 1.656 0.000 489.00 513.00 1 8.0300e+00 1.8345e-03 3.6248e-03 -6.0000e+00 4.2987e-03 8.4532e-03 4.8145e-04 7.8722e-04 -6.0000e+00 1.1368e-03 4.9323e-04 5.3299e-04 1.0341e-04 5.0992e-05 -6.0000e+00 2.5292e-04 -1.2068e-02 6.9211e-06 10 0 0 10 0 0 97.88 22.23 1.60 -0.01207 -0.00837 13 3 1 4 0 3813.532 25.28 20.00 22.23 16.29 31.9 1013.74 -517 -433 -501 -228 -7 141 414 278 415 181 316 -64 236 -89 -564 -173 -210 218 153 468 307 136 165 -95 354 346 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