File name: Pandora21s1_Bremen_20231112_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T155549.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 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_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20231112_L1_smca1c7d20231020p1-8.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: 20231112 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 20231112T100817.8Z 8716.422428 170 1 49.61 2 71.96 164.82 69.39 176.63 0.00 1 0.00 1 0 17 2.894e-01 2.646e-02 2.104e-01 1.970e-02 4.449129e-01 1.016185e-02 5.654454e-03 -6.000000e+00 1.689248e-01 221.02 -2.00 3.88 -2.00 319.69 0.00e+00 4.789547e-03 2.630059e-03 2.349612e-04 -6.000000e+00 7.204945e-03 271.27 -2.00 20.00 -2.00 319.37 0.00e+00 3.187 0.001 302.00 328.00 3 6.1948e+00 2.7841e-02 3.9749e-02 -6.0000e+00 4.1739e-01 2.1983e-01 3.2436e-02 2.4274e-02 -6.0000e+00 4.5897e-01 -7.6261e-02 2.6766e-02 1.2453e-02 -6.0000e+00 2.6875e-01 3.4492e-02 1.4235e-02 3.7570e-03 -6.0000e+00 1.1011e-01 2.4187e-05 -7.9145e-04 6.2547e-04 4.7780e-05 -6.0000e+00 8.8801e-03 1.7048e-03 0.0000e+00 12 8 8 10 0 0 99.89 22.12 1.54 0.00170 -0.00424 17 3 1 5 0 2917.666 25.28 20.00 22.12 14.84 33.9 1008.73 -31397 -107000 153955 -89317 900000 -92932 900000 -56999 900000 6654 101189 -17413 49756 900000 -41683 900000 16187 94649 -15352 40013 6471 63530 27439 -21125 35104 -23391 -3137 24805 70711 10685 90534 530 8678 7546 11014 50917 -2978 36751 -1561 3088 7740 2893 -5161 19009 -7383 -12772 10541 4747 12264 5763 20565 8605 7772 -4169 -3993 -779 -12002 10698 1921 11823 -891 6419 -1447 -3968 -1810 1221 -1771 973 6338 -5678 4892 -2317 4383 -1682 1742 -459 -9929 9156 -8011 622 -1108 -1082 -3386 3698 -1248 -874 913 -562 -1405 -1156 643 -5246 2563 -3356 1104 607 2110 566 -1594 -216 -946 2079 -1168 107 -1431 2665 -239 664 2013 -2134 2954 -2950 2384 -975 1140 -1139 -375 582 -2068 1025 -427 2965 -1748 2699 -583 805 2388 -889 -631 -1737 1211 -287 920 -845 -10 614 748 291 -1559 1112 -150 1402 -2691 -1040 -7500 2954 -5073 900000 -5110 900000 -2646 900000 193 1942 -743 1402 900000 -3658 900000 1010 3127 -1406 2297 502 2986 1832 -2282 2374 -2718 -299 1794 3440 956 4463 65 1060 927 1278 4267 -457 4580 -323 685 1763 722 -1433 4263 -2151 -3958 2630 1267 3129 1649 5525 2788 2701 -1699 -1672 -322 -5537 3910 753 4283 -387 2852 -757 -2237 -986 618 -904 504 3446 -3820 3153 -1619 2786 -1063 973 -239 -5404 4291 -4931 402 -818 -872 -2965 3194 -1201 -885 944 -595 -1469 -1143 579 -4659 2042 -2942 1021 635 2437 722 -2139 -276 -1130 2223 -1250 117 -1694 3184 -309 901 2898 -3446 4778 -5085 3779 -1501 1619 -1602 -531 856 -3281 1624 -682 4446 -2652 3763 -803 1049 3014 -1211 -934 -2806 2007 -500 1642 -1610 -20 1255 1558 613 -3299 2211 -287 2537 -5030 SS 20231112T101847.7Z 8716.429719 177 1 50.46 2 71.58 167.43 69.37 179.27 0.00 1 0.00 1 0 25 2.967e-01 2.104e-02 2.033e-01 1.143e-02 4.326462e-01 5.977713e-03 5.805625e-03 -6.000000e+00 1.736456e-01 221.02 -2.00 3.88 -2.00 319.74 0.00e+00 1.856003e-03 1.577083e-03 2.348396e-04 -6.000000e+00 7.404994e-03 271.27 -2.00 20.00 -2.00 319.46 0.00e+00 3.126 0.001 302.00 328.00 3 5.4726e+00 1.6472e-02 3.9309e-02 -6.0000e+00 4.2757e-01 9.3971e-02 1.9174e-02 2.4419e-02 -6.0000e+00 4.6670e-01 -1.6608e-02 1.6553e-02 1.2752e-02 -6.0000e+00 2.7500e-01 7.3128e-03 8.8920e-03 3.9662e-03 -6.0000e+00 1.1728e-01 5.6936e-05 -1.9953e-03 3.6572e-04 5.3474e-05 -6.0000e+00 9.0151e-03 1.5630e-02 0.0000e+00 12 8 8 10 0 0 99.98 22.12 0.45 0.01563 0.00064 58 11 1 5 0 869.820 25.28 20.00 22.12 15.34 33.8 1010.39 134811 8144 900000 17200 900000 -169529 40097 70510 128030 93017 -21466 124851 17586 56013 2978 70794 -14112 14742 8862 25014 42360 18528 42503 10420 40244 39651 23406 -716 18070 22013 22875 22578 -10994 30251 5721 28377 -4051 19062 -9638 5474 1863 622 -251 3194 1167 772 2638 75 8308 3367 8440 -3903 -1772 2465 -4873 3175 -4162 5506 -4293 -586 -1702 953 2069 -1979 18 770 5721 -882 4834 -860 458 -342 -294 -2123 -1800 6204 783 1376 -2794 1595 -2309 -953 22 -1605 -2708 -949 847 -2881 -729 635 3117 -1759 1303 2556 -963 1528 138 1663 -1883 1256 -956 1016 410 -463 -1063 -3101 528 -1226 245 427 356 -410 545 -520 -266 463 358 38 -1253 1399 -1201 1552 1387 239 304 -11 1146 -572 2419 -152 842 177 982 -855 -514 -328 421 -609 -816 151 -1034 882 900000 1501 198 900000 371 900000 -16493 751 1133 1426 1385 -851 1676 660 1795 167 2501 -1073 930 612 1556 2303 1247 2449 832 2619 2640 1759 -64 1387 1743 1998 2185 -1520 2909 668 2838 -607 2730 -2086 1158 438 155 -65 805 303 202 681 20 2115 948 2451 -1370 -650 913 -2000 1238 -1749 2085 -1760 -235 -734 438 1025 -1067 9 381 2659 -457 2625 -543 303 -231 -193 -1335 -1034 3023 384 694 -1630 1016 -1710 -761 18 -1452 -2633 -959 873 -3110 -756 616 2746 -1515 1057 2134 -915 1591 163 2098 -2524 1582 -1139 1101 437 -518 -1272 -3974 686 -1720 364 682 598 -698 889 -807 -388 652 512 57 -2012 2254 -1972 2417 2097 351 428 -15 1512 -804 3592 -249 1442 317 1805 -1679 -1059 -700 910 -1339 -1778 316 -2083 1680 900000 SS 20231112T102353.5Z 8716.433258 180 1 50.25 2 71.43 168.70 69.39 180.55 0.00 1 0.00 1 0 25 3.207e-02 5.306e-03 2.865e-02 2.076e-03 4.305580e-01 1.076689e-03 5.695174e-03 -6.000000e+00 1.872110e-02 221.02 -2.00 3.88 -2.00 319.65 0.00e+00 4.902862e-04 2.782922e-04 2.375440e-04 -6.000000e+00 7.722766e-04 271.27 -2.00 20.00 -2.00 319.36 0.00e+00 3.101 0.001 302.00 328.00 3 3.3096e+00 2.9489e-03 3.8938e-02 -6.0000e+00 4.6144e-02 4.3567e-02 3.4379e-03 2.4153e-02 -6.0000e+00 5.0321e-02 6.3098e-03 3.0014e-03 1.2709e-02 -6.0000e+00 2.9710e-02 -1.2406e-02 1.6198e-03 3.9871e-03 -6.0000e+00 1.2637e-02 5.2823e-04 -7.7788e-04 6.5793e-05 5.0726e-05 -6.0000e+00 9.6593e-04 7.1987e-03 0.0000e+00 10 0 0 10 0 0 99.97 22.12 0.14 0.00720 0.00135 167 33 1 5 0 300.832 25.28 20.00 22.12 15.45 33.7 1010.62 -4160 -8542 17089 -6828 -15033 -3648 -13343 2493 -7530 5057 -174 -4194 -13151 8 1415 -1047 -5334 57 -2452 327 7760 2097 2616 -2058 -1454 -1804 -1651 3128 3089 2446 -2310 3829 -1691 -127 -3933 -2174 -2724 -950 -2588 -2617 -619 -1757 -1181 -549 -62 -625 -516 -391 1402 959 337 737 453 1487 76 820 -285 363 870 1827 1301 1179 679 187 226 967 981 913 453 -148 -499 -216 -651 -37 -199 1007 -209 1774 262 -590 -852 -1559 -1177 -753 -539 -643 -358 118 140 411 696 1172 1118 1461 798 1136 707 -527 -618 -396 -417 161 322 -649 -673 -716 -412 -224 205 -287 -240 -103 94 73 684 911 517 167 -735 -763 -405 -316 -241 232 208 723 1268 577 377 67 110 128 306 41 -142 -61 63 -293 -219 -165 -93 58 900000 -85 -195 317 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