File name: Pandora21s1_Bremen_20250305_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250501T023402.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 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_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20250305_L1_smca1c10d20231020p1-8.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: 20250305 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: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: 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 24: 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 25: 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 26: 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 27: Ozone effective temperature [K] Column 28: 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 29: 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 30: 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 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: 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 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur 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 sulfur 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 sulfur 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 sulfur 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: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur 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 sulfur 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 sulfur 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 sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: 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 78: 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 79: 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 80: 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 81: 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 82: 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 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal 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: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 --------------------------------------------------------------------------------------- SS 20250305T065354.4Z 9195.287435 74 1 49.95 2 83.33 109.19 95.78 38.16 0.00 1 0.00 1 0 17 5.783e-01 2.891e-02 3.826e-01 1.702e-02 8.335105e-01 9.713452e-03 9.744337e-03 -6.000000e+00 3.424285e-01 224.47 -2.00 3.88 -2.00 321.98 0.00e+00 2.835714e-03 4.061807e-03 1.084083e-03 -6.000000e+00 1.432977e-02 267.43 -2.00 20.00 -2.00 321.59 0.00e+00 7.857 0.011 302.00 328.00 3 1.1987e+00 3.0574e-02 9.1338e-02 -6.0000e+00 8.5129e-01 1.0354e+00 3.8739e-02 4.7592e-02 -6.0000e+00 9.3431e-01 -1.2230e+00 3.6797e-02 2.5413e-02 -6.0000e+00 5.4710e-01 4.8713e-01 1.8647e-02 8.4023e-03 -6.0000e+00 2.2297e-01 2.8377e-05 -1.4816e-03 5.1524e-04 1.3023e-04 -6.0000e+00 1.7698e-02 -6.4891e-03 0.0000e+00 12 8 8 10 0 0 82.26 22.97 0.64 -0.00649 -0.01762 42 8 1 5 0 1188.919 26.00 20.00 22.97 11.92 35.8 1024.45 -40631 -60568 -132339 900000 -41265 900000 -163711 -32798 -99409 -118997 -31183 -69923 -30076 129510 77129 62318 900000 -38792 13074 -14789 59953 900000 73689 117839 56697 86013 -50780 -62904 3518 167957 51764 221852 229512 -18327 900000 44003 82634 29023 293194 36322 92068 44257 11326 43832 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-12 -2651 -2106 -2008 -2395 -777 -5306 812 -734 329 -5108 -2156 1058 -406 -1943 -2910 855 -1883 -487 -2289 -1443 -3624 -3379 1191 1324 1279 471 2267 -611 5113 1186 3072 2271 1541 4683 557 2452 286 5610 -669 2007 -1271 1832 -2297 140 749 -888 1397 -2301 3362 -1756 -6669 SS 20250305T070528.5Z 9195.295469 77 1 49.98 2 81.70 111.58 94.70 40.46 0.00 1 0.00 1 0 17 5.106e-01 1.139e-02 2.727e-01 6.171e-03 7.429111e-01 3.424284e-03 8.666258e-03 -6.000000e+00 3.008715e-01 224.47 -2.00 3.88 -2.00 321.66 0.00e+00 4.796162e-03 1.447044e-03 9.699104e-04 -6.000000e+00 1.257146e-02 267.43 -2.00 20.00 -2.00 321.31 0.00e+00 6.516 0.006 302.00 328.00 3 1.2973e+00 1.0581e-02 7.7212e-02 -6.0000e+00 7.4769e-01 3.1894e-01 1.5383e-02 4.3419e-02 -6.0000e+00 8.1935e-01 -2.9859e-01 1.8369e-02 2.4331e-02 -6.0000e+00 4.7870e-01 1.1158e-01 8.9618e-03 8.2103e-03 -6.0000e+00 1.9718e-01 1.1024e-04 -8.3820e-04 1.8884e-04 1.1564e-04 -6.0000e+00 1.5648e-02 -6.8400e-03 0.0000e+00 12 8 8 10 0 0 75.43 22.97 0.44 -0.00684 -0.01314 96 19 1 5 0 520.495 26.00 20.00 22.97 12.60 35.5 1026.76 900000 -220348 -93273 -108526 -147604 900000 -113480 900000 -215019 -25983 -169044 -103788 -105019 31629 -15117 -89860 -45156 -41938 308080 -57143 900000 -98216 -5512 -63448 -51351 -6762 -37335 -34957 -61908 28181 -27901 512 -32745 -16037 1205 20588 -1027 -15468 33461 -6733 40073 -9914 12862 -56 5816 29040 -7694 4426 8212 18154 -2707 16995 -4553 9763 7085 13846 5026 1818 7977 -2025 5559 -4214 8550 3339 7414 2333 1696 6003 1999 4182 -542 6743 -1212 3273 -494 3872 -1235 578 -228 -870 411 -3607 692 -3725 99 -1546 1471 -147 37 1311 -575 1766 -1241 -33 -1291 1503 -132 -542 -407 -113 98 -2392 1309 -2347 -244 -723 301 -760 330 -120 -752 -759 -1802 -275 292 578 438 1044 78 82 1139 949 226 -193 621 -538 1441 614 276 153 -458 420 -72 101 -256 243 1 299 -356 221 155 -283 -951 900000 -3423 -561 -653 -1130 900000 -682 900000 -3987 -156 -2372 -1021 -1378 190 -132 -1801 -716 -711 1853 -1145 900000 -3051 -78 -1590 -1209 -115 -857 -783 -1768 416 -811 13 -1329 -563 35 563 -37 -767 1224 -425 1747 -702 819 -4 417 1703 -626 338 650 1436 -297 1706 -621 1242 973 1838 735 269 1085 -307 838 -791 1610 728 1598 528 395 1447 527 1211 -176 2059 -385 919 -140 967 -320 159 -69 -314 170 -1749 348 -2088 57 -953 914 -94 23 769 -323 925 -674 -19 -878 1163 -120 -556 -439 -118 94 -2139 1068 -2036 -220 -693 305 -847 407 -168 -1155 -1217 -2913 -423 428 828 642 1595 126 135 1801 1441 333 -276 850 -723 1901 884 454 283 -874 848 -156 232 -626 615 4 777 -915 539 353 -612 -2050 SS 20250305T072453.3Z 9195.308950 83 1 50.16 2 79.03 115.65 92.76 44.27 0.00 1 0.00 1 0 17 1.329e-01 4.363e-03 1.239e-01 2.503e-03 5.993410e-01 1.324780e-03 7.203853e-03 -6.000000e+00 7.731594e-02 224.47 -2.00 3.88 -2.00 320.97 0.00e+00 2.883615e-03 4.843458e-04 5.660134e-04 -6.000000e+00 3.180289e-03 267.43 -2.00 20.00 -2.00 320.62 0.00e+00 5.068 0.003 302.00 328.00 3 1.5857e+00 3.8684e-03 6.0319e-02 -6.0000e+00 1.9187e-01 1.5405e-01 5.0447e-03 3.4111e-02 -6.0000e+00 2.0992e-01 -8.5741e-02 5.6488e-03 1.8423e-02 -6.0000e+00 1.2371e-01 1.9322e-02 2.8862e-03 5.9574e-03 -6.0000e+00 5.0871e-02 3.7829e-04 -8.2583e-04 7.7914e-05 7.3933e-05 -6.0000e+00 3.9948e-03 -7.4547e-03 0.0000e+00 10 0 0 10 0 0 66.95 22.98 0.26 -0.00745 -0.01366 149 29 1 5 0 336.550 26.00 20.00 22.98 12.79 35.9 1027.87 36731 -41445 3961 -69771 -5382 -70091 -28897 -34762 -44971 -42487 -26760 -26280 -42455 -9213 -15725 8479 -25026 -806 -2057 6523 9169 2305 -8560 -9090 609 -10989 -6870 -8788 8087 -8957 6948 -4059 5539 -1711 -1157 2886 -8435 1832 -4793 495 -5355 -1204 -2031 -4259 -664 -2312 1662 -211 1619 -403 1273 2348 909 2247 -283 661 -862 948 -179 2547 646 2557 1675 369 1768 15 1422 -141 1869 34 1320 361 654 -930 -831 118 -1289 860 -1299 -337 -1309 -1215 -946 -997 -1244 -326 451 122 95 402 1003 281 872 635 306 732 693 266 -245 -325 -439 104 204 -14 -345 -309 -345 -201 108 -459 -539 -768 -385 -190 148 713 436 730 150 108 19 430 -270 50 -171 616 750 191 1 -191 -193 -285 -26 -103 -53 82 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