File name: Pandora133s1_Heidelberg_20250103_L2Fit_fwvt1c4d20240611p1-8.txt File generation date: 20250704T134853.7Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250103_L1_smca1c4d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20250103 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: None First and last pixel inside fitting window: 1646 1795 Nominal wavelengths inside fitting window [nm]: 492.1173 492.2384 492.3595 492.4806 492.6017 492.7227 492.8437 492.9648 493.0858 493.2067 493.3277 493.4487 493.5696 493.6905 493.8114 493.9323 494.0532 494.1740 494.2948 494.4157 494.5365 494.6572 494.7780 494.8988 495.0195 495.1402 495.2609 495.3816 495.5023 495.6229 495.7435 495.8641 495.9847 496.1053 496.2259 496.3464 496.4670 496.5875 496.7080 496.8285 496.9489 497.0694 497.1898 497.3102 497.4306 497.5510 497.6713 497.7917 497.9120 498.0323 498.1526 498.2729 498.3931 498.5134 498.6336 498.7538 498.8740 498.9942 499.1143 499.2345 499.3546 499.4747 499.5948 499.7149 499.8349 499.9550 500.0750 500.1950 500.3150 500.4350 500.5549 500.6748 500.7948 500.9147 501.0346 501.1544 501.2743 501.3941 501.5139 501.6337 501.7535 501.8733 501.9930 502.1128 502.2325 502.3522 502.4719 502.5915 502.7112 502.8308 502.9504 503.0700 503.1896 503.3092 503.4287 503.5482 503.6677 503.7872 503.9067 504.0262 504.1456 504.2650 504.3844 504.5038 504.6232 504.7426 504.8619 504.9812 505.1005 505.2198 505.3391 505.4584 505.5776 505.6968 505.8160 505.9352 506.0544 506.1735 506.2927 506.4118 506.5309 506.6500 506.7690 506.8881 507.0071 507.1261 507.2451 507.3641 507.4831 507.6020 507.7209 507.8399 507.9588 508.0776 508.1965 508.3153 508.4342 508.5530 508.6718 508.7905 508.9093 509.0280 509.1468 509.2655 509.3842 509.5028 509.6215 509.7401 509.8587 509.9773 --------------------------------------------------------------------------------------- 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: 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: Temperature at electronics board 1 [°C], 999=no temperature signal Column 99: Temperature at electronics board 2 [°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 20250103T084640.8Z 9134.365750 97 1 46.92 2 80.79 142.39 100.00 103.20 0.00 1 0.00 1 0 15 4.016e-03 3.963e-03 1.156e-03 1.155e-03 2.197005e+03 6.913638e+01 1.675851e+02 -6.000000e+00 2.239984e+02 268.64 -2.00 20.00 -2.00 505.30 0.00e+00 8.838662e-04 3.149713e-05 4.991632e-05 -6.000000e+00 1.116041e-04 268.64 -2.00 20.00 -2.00 500.60 0.00e+00 6.378996e-01 2.331179e-02 1.976086e-02 -6.000000e+00 8.190629e-02 221.69 -2.00 3.74 -2.00 502.18 0.00e+00 5.944 0.004 489.00 513.00 1 8.2793e+00 1.7838e-03 8.5796e-03 -6.0000e+00 6.2818e-03 1.0446e-02 4.5034e-04 6.4368e-04 -6.0000e+00 1.5954e-03 2.0447e-04 1.3826e-03 1.3854e-04 3.0222e-05 -6.0000e+00 4.9596e-04 -1.0379e-02 -2.2506e-05 11 9 0 11 32 0 97.38 21.63 0.75 -0.01038 -0.00079 12 3 1 2 0 3908.790 20.00 21.63 7.66 25.68 25.90 2.0 788.83 -615 -486 2 -80 120 411 396 331 354 224 197 -228 -357 -567 -462 -545 -2 128 336 85 107 101 -4 819 441 99 194 -87 -135 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472 371 473 652 111 181 -40 128 517 7 362 -168 -68 65 292 59 -235 -405 -81 -659 75 423 81 34 -70 69 -41 260 514 163 169 334 -342 -434 -526 -478 SQ 20250103T094120.1Z 9134.403705 125 1 22.23 2 76.13 154.33 91.69 112.88 0.00 1 0.00 1 0 8 3.045e-03 3.038e-03 9.650e-04 9.644e-04 1.030198e+03 5.480853e+01 7.119235e+01 -6.000000e+00 1.698899e+02 268.64 -2.00 20.00 -2.00 505.28 0.00e+00 6.560634e-04 2.629402e-05 3.636538e-05 -6.000000e+00 8.463479e-05 268.64 -2.00 20.00 -2.00 500.63 0.00e+00 3.588476e-01 1.939592e-02 1.231524e-02 -6.000000e+00 6.207795e-02 221.69 -2.00 3.74 -2.00 502.20 0.00e+00 4.078 0.001 489.00 513.00 1 7.4206e+00 1.4874e-03 5.8587e-03 -6.0000e+00 4.7616e-03 5.9177e-04 3.7611e-04 3.9888e-04 -6.0000e+00 1.2082e-03 6.4230e-04 8.0276e-05 1.1617e-04 1.8361e-05 -6.0000e+00 3.7604e-04 -5.7929e-03 2.2138e-06 12 1 1 12 1 1 95.04 21.65 0.74 -0.00579 -0.00524 8 5 1 2 0 2469.300 20.00 21.65 8.06 25.68 25.90 2.0 792.27 -562 -329 -190 102 190 318 487 400 296 212 261 -68 -175 -443 -261 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-352 14 14 -163 -360 -415 -42 82 124 20 38 216 118 491 549 544 559 250 265 106 -6 419 239 133 -20 -84 90 545 62 -134 -289 -70 -720 -77 119 167 19 -196 171 236 284 681 192 314 -29 -479 -524 -341 -515 SQ 20250103T094634.1Z 9134.407340 129 1 5.67 2 75.77 155.51 90.92 113.83 0.00 1 0.00 1 0 15 2.739e-03 2.732e-03 8.789e-04 8.781e-04 1.078835e+03 5.023575e+01 8.630041e+01 -6.000000e+00 1.527727e+02 268.64 -2.00 20.00 -2.00 505.27 0.00e+00 6.669962e-04 2.395545e-05 3.677761e-05 -6.000000e+00 7.610884e-05 268.64 -2.00 20.00 -2.00 500.57 0.00e+00 3.059398e-01 1.771344e-02 1.045270e-02 -6.000000e+00 5.583638e-02 221.69 -2.00 3.74 -2.00 502.15 0.00e+00 3.981 0.001 489.00 513.00 1 5.9146e+00 1.3585e-03 5.7065e-03 -6.0000e+00 4.2827e-03 1.4273e-02 3.4371e-04 3.7925e-04 -6.0000e+00 1.0870e-03 2.9457e-03 3.3224e-04 1.0549e-04 2.0742e-05 -6.0000e+00 3.3819e-04 -7.0062e-03 -8.2295e-06 12 1 1 12 1 1 99.34 21.65 0.64 -0.00701 -0.00470 10 26 1 2 0 514.850 20.00 21.65 8.07 25.68 25.90 2.0 793.00 -490 -164 110 -59 154 330 503 622 494 248 212 18 -155 -205 -192 -370 -73 135 45 -43 -41 210 192 382 238 305 211 85 -346 -318 -254 -461 120 420 23 -177 -132 -154 -244 -108 -146 -77 -98 235 219 308 165 222 -22 -341 -518 -581 -460 -491 -112 -153 -154 -124 -56 64 395 421 248 313 311 170 92 -25 -222 -455 -84 -179 -21 21 112 -279 -413 -166 -153 -353 -348 -395 -229 -217 58 -229 -173 -212 16 -80 10 343 365 339 303 254 -203 -372 -273 -309 -383 -439 -58 24 -59 -364 -159 -265 -86 -81 -57 136 174 237 372 381 378 439 284 214 128 212 183 256 39 171 183 61 206 -3 -247 -293 -436 -332 -213 283 115 -134 76 333 234 471 359 310 338 94 -431 -340 -289 -327 -472 -161 110 -59 157 342 528 654 517 258 216 19 -155 -204 -191 -371 -74 140 46 -45 -43 218 198 396 247 315 216 88 -353 -318 -253 -465 123 426 23 -183 -136 -157 -247 -109 -147 -78 -100 242 226 318 169 224 -22 -341 -507 -561 -444 -481 -111 -156 -154 -126 -57 64 398 426 251 315 310 173 92 -25 -218 -445 -81 -175 -21 20 110 -275 -402 -160 -146 -338 -335 -384 -224 -214 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