File name: Pandora21s1_Bremen_20231008_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T154112.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 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_20231008_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: 20231008 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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 20231008T070201.2Z 8681.293069 285 1 49.90 2 78.82 115.79 29.28 186.67 0.00 1 0.00 1 0 25 3.745e-01 1.137e-02 2.545e-01 8.850e-03 5.602949e-01 4.839749e-03 7.094959e-03 -6.000000e+00 2.226988e-01 225.33 -2.00 3.88 -2.00 320.91 0.00e+00 2.363029e-03 1.703249e-03 5.232985e-04 -6.000000e+00 9.190062e-03 276.37 -2.00 20.00 -2.00 320.59 0.00e+00 4.977 0.003 302.00 328.00 3 3.2399e+00 1.4281e-02 5.8951e-02 -6.0000e+00 5.5363e-01 6.2059e-02 1.8215e-02 3.2989e-02 -6.0000e+00 6.0223e-01 -2.0442e-02 1.9489e-02 1.7996e-02 -6.0000e+00 3.5404e-01 3.4644e-03 1.0012e-02 5.9111e-03 -6.0000e+00 1.4897e-01 8.2864e-05 -1.1524e-03 2.8928e-04 7.9156e-05 -6.0000e+00 1.1238e-02 -2.9306e-02 -8.6203e-06 12 8 8 10 0 0 99.97 22.52 0.20 -0.02931 -0.03797 111 22 1 5 0 449.462 25.58 20.00 22.52 19.31 34.0 1011.15 -42208 900000 -128643 6384 -166306 900000 -153780 -54747 -90750 209512 -6605 -71020 -39622 -38892 33341 -63370 28351 699 55747 161076 40405 50423 -22932 24860 -33708 2168 -19138 16000 -37904 5233 87697 3410 17845 18186 24707 9179 24269 -7817 13362 -5423 1630 6557 -303 19552 10604 14130 10604 -7709 -70 3365 -6218 17511 3909 -2115 4692 -4751 3437 319 507 -3975 -1041 1584 2872 2953 -685 6070 -1661 1947 475 1106 -1959 556 236 -1644 -218 -830 1553 909 2876 271 1179 -1591 -1701 -1163 -755 -824 -1956 1206 44 224 -349 799 615 620 556 241 615 -453 -790 84 808 -1166 522 -35 -1501 -1050 -170 613 -1057 -878 -109 634 -209 420 231 548 834 -84 316 -755 -732 -544 364 -916 219 1158 332 2224 309 1428 -7 151 -701 144 246 -213 84 22 -279 -263 621 -981 161 -364 900000 -2621 55 -4430 900000 -3798 -664 -1645 1808 -68 -1365 -689 -814 464 -2238 533 18 980 1390 877 1026 -867 679 -1576 80 -858 538 -1952 197 1883 164 859 937 1214 509 1258 -598 1009 -559 178 739 -38 2144 1279 1685 1330 -1157 -10 497 -1077 2698 740 -455 1007 -1159 803 78 122 -982 -255 406 804 912 -233 1942 -558 637 168 435 -876 258 111 -767 -94 -330 559 322 1058 116 577 -906 -1069 -779 -535 -623 -1580 982 37 182 -273 578 422 421 402 196 568 -478 -916 100 926 -1260 512 -34 -1523 -1128 -190 723 -1357 -1229 -166 1018 -345 674 354 798 1188 -124 485 -1231 -1218 -892 574 -1418 323 1635 456 3000 453 2290 -13 287 -1404 300 540 -497 202 53 -695 -646 1456 -2223 347 SS 20231008T074533.0Z 8681.323298 313 1 13.91 2 73.20 125.34 31.17 205.70 0.00 1 0.00 1 0 25 3.263e-02 5.521e-03 2.847e-02 2.992e-03 3.938561e-01 1.551800e-03 5.220395e-03 -6.000000e+00 1.933403e-02 225.33 -2.00 3.88 -2.00 318.95 0.00e+00 1.313912e-05 3.276290e-04 1.714902e-04 -6.000000e+00 7.824372e-04 276.37 -2.00 20.00 -2.00 318.66 0.00e+00 3.407 0.001 302.00 328.00 3 3.2696e+00 4.1937e-03 4.0439e-02 -6.0000e+00 4.8101e-02 4.2525e-02 4.7596e-03 2.2450e-02 -6.0000e+00 5.2294e-02 -9.6024e-03 3.6431e-03 1.1426e-02 -6.0000e+00 3.0799e-02 -3.1374e-03 1.9602e-03 3.4273e-03 -6.0000e+00 1.2900e-02 4.3567e-04 -8.1467e-04 9.3472e-05 4.1951e-05 -6.0000e+00 9.7838e-04 -3.0713e-02 2.1836e-05 12 1 1 12 1 1 99.69 22.51 0.19 -0.03071 -0.03683 18 13 1 5 0 731.743 25.58 20.00 22.51 20.59 33.9 1018.01 -12378 11866 -5767 11469 -11583 -12603 3893 6835 -2342 -1634 7963 -14753 -5809 -3594 -8226 -5714 1758 -3331 7291 -2141 3532 -330 -28 -1905 -1926 1179 -1002 785 850 2941 -1016 -940 2465 -1776 -517 -3989 -987 -394 -1105 -2876 -864 -1452 -1544 86 -1460 189 -1680 568 -1162 652 763 1176 384 2152 130 763 723 1325 1007 749 1530 1577 1353 642 -357 721 568 135 1686 141 -431 251 -346 -256 -337 647 168 857 -48 -75 -988 -1209 -1182 -1253 -817 -1135 -363 -499 -24 97 168 366 736 834 1052 859 771 575 105 -343 -78 -556 -46 210 -675 -884 -611 -785 309 149 -161 -26 -68 136 -203 444 350 408 12 -424 -570 -27 -362 -102 202 430 557 1038 1072 93 143 52 176 463 -121 -71 -139 438 -566 -314 -126 -276 -34 -387 337 -202 340 -396 -419 116 221 -92 -68 318 -763 -311 -221 -615 -474 148 -314 658 -220 356 -35 -3 -222 -241 151 -133 100 104 353 -135 -138 387 -307 -88 -686 -174 -79 -264 -817 -269 -486 -538 30 -524 67 -610 201 -421 237 292 482 170 993 64 385 373 686 518 382 787 855 793 406 -236 463 351 82 1054 98 -326 198 -278 -202 -253 449 108 527 -31 -52 -768 -1033 -1084 -1208 -823 -1206 -401 -569 -27 109 182 374 709 782 1015 893 875 710 138 -461 -103 -692 -55 244 -818 -1125 -806 -1076 438 222 -253 -41 -111 215 -308 643 498 589 18 -664 -916 -43 -571 -156 302 622 781 1436 1534 142 229 87 300 810 -219 -134 -268 860 -1124 -620 -243 -519 -62 SS 20231008T075027.8Z 8681.326710 316 1 20.36 2 72.60 126.45 31.51 207.72 0.00 1 0.00 1 0 25 1.870e-02 4.990e-03 8.092e-03 9.808e-04 3.801119e-01 5.080424e-04 5.041343e-03 -6.000000e+00 1.108247e-02 225.32 -2.00 3.88 -2.00 318.80 0.00e+00 5.032985e-04 1.022639e-04 1.560877e-04 -6.000000e+00 4.484873e-04 276.37 -2.00 20.00 -2.00 318.50 0.00e+00 3.297 0.001 302.00 328.00 3 1.6533e+00 1.3674e-03 3.9077e-02 -6.0000e+00 2.7572e-02 3.1847e-02 1.5469e-03 2.1611e-02 -6.0000e+00 2.9975e-02 -1.1167e-02 1.1508e-03 1.0970e-02 -6.0000e+00 1.7654e-02 -1.3261e-03 6.1709e-04 3.2799e-03 -6.0000e+00 7.3945e-03 2.4919e-03 -6.6561e-04 3.0586e-05 3.9779e-05 -6.0000e+00 5.6077e-04 -3.0800e-02 3.8492e-05 12 1 1 12 1 1 99.73 22.51 0.19 -0.03080 -0.03580 144 69 1 5 0 140.331 25.58 20.00 22.51 20.63 33.8 1017.84 -4677 -2834 -9264 -1054 -9171 -1641 -8641 -1707 -5287 -2968 -6263 -1453 -2505 -4064 -1024 -3583 47 -2213 2122 -2282 -33 -1223 202 1125 -1689 -302 -2324 -650 -1241 346 -1162 689 393 -1540 -690 -1623 -599 -860 -415 -1449 -1173 -1341 -857 -924 -397 -39 -399 -44 -324 1094 376 791 924 1319 729 733 1068 529 685 804 1423 1240 1489 541 174 505 417 815 724 553 -196 -48 -288 -223 -172 257 222 202 747 -457 -315 -1114 -1384 -1292 -1067 -970 -436 -315 -232 -201 209 634 663 1139 683 517 842 566 -194 -612 -243 -472 129 190 -554 -732 -634 -377 -93 47 -85 -182 -232 43 172 465 665 530 235 -289 -566 -304 -171 -162 236 173 710 1143 809 456 259 23 87 256 19 -235 47 168 -385 -328 -182 -293 -53 -156 -106 -389 -40 -349 -55 -325 -67 -241 -142 -322 -75 -148 -289 -83 -317 4 -225 219 -257 -4 -142 24 138 -228 -42 -338 -90 -166 45 -165 107 67 -286 -125 -292 -113 -187 -108 -449 -381 -470 -312 -344 -149 -15 -150 -16 -121 412 151 342 430 652 381 396 590 296 378 437 783 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