File name: Pandora21s1_Bremen_20240116_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240116T233719.4Z 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_20240116_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: 20240116 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 20240116T095226.6Z 8781.411419 127 1 50.27 2 77.30 155.70 91.76 89.22 0.00 1 0.00 1 0 25 1.772e-01 4.974e-03 2.046e-01 4.071e-03 5.927535e-01 2.167795e-03 7.502230e-03 -6.000000e+00 1.036443e-01 221.46 -2.00 3.88 -2.00 320.70 0.00e+00 2.323589e-03 7.496143e-04 5.432741e-04 -6.000000e+00 4.251531e-03 265.73 -2.00 20.00 -2.00 320.41 0.00e+00 4.428 0.002 302.00 328.00 3 3.0775e+00 6.2592e-03 5.4973e-02 -6.0000e+00 2.5570e-01 1.3370e-01 8.0342e-03 3.4018e-02 -6.0000e+00 2.7852e-01 -7.2493e-02 8.8264e-03 1.8889e-02 -6.0000e+00 1.6449e-01 1.9091e-02 4.5787e-03 6.3168e-03 -6.0000e+00 6.9589e-02 1.5352e-04 -5.8239e-04 1.2524e-04 8.1029e-05 -6.0000e+00 5.3043e-03 -4.1944e-02 1.2798e-04 10 0 0 10 0 0 98.08 22.19 0.19 -0.04194 -0.04632 56 11 1 5 0 897.442 25.28 20.00 22.19 6.74 33.4 1005.90 -20522 -19639 -95861 -52588 63280 -35377 12117 19001 -7679 -34719 10463 -6935 133310 -39364 -40715 -4970 -3348 6800 -22147 -3929 5216 -13975 -2467 6070 -15613 -11789 -9813 3052 9391 5588 -3260 -2416 -3603 -7212 5117 -646 -6389 2992 1035 4952 718 -855 2402 -637 -6448 2842 -806 3192 858 1916 666 185 -684 451 1329 -603 1756 1377 -371 940 663 824 715 588 -933 -455 484 701 624 1578 -731 672 406 160 -451 875 595 99 1663 -413 217 -773 -1118 -1859 -196 -1398 -414 -151 -686 707 236 1964 616 1408 664 199 836 871 -74 -207 31 -497 124 693 -102 -840 -765 30 -238 -253 -381 -419 -218 -258 -70 463 367 257 -55 -254 -545 115 -161 -196 486 128 643 951 47 210 -96 328 63 161 216 -174 117 385 -526 -191 -97 -80 -62 -116 -130 -1344 -512 251 -274 64 105 -60 -372 80 -68 529 -735 -938 -99 -74 152 -684 -109 139 -445 -73 177 -592 -458 -385 106 306 195 -137 -117 -201 -453 290 -38 -417 204 86 469 81 -106 305 -86 -940 387 -116 452 129 300 114 35 -144 101 316 -153 449 357 -96 237 170 224 216 198 -342 -168 173 252 238 666 -350 338 208 80 -211 369 232 38 657 -189 115 -468 -750 -1346 -148 -1133 -350 -132 -610 608 194 1493 450 1008 507 171 811 953 -90 -261 38 -566 129 693 -106 -929 -889 37 -310 -358 -590 -693 -368 -429 -112 699 543 386 -86 -418 -915 189 -257 -304 725 185 896 1313 69 340 -170 619 125 331 467 -397 276 918 -1272 -454 -222 -174 -129 SS 20240116T100024.8Z 8781.416954 131 1 50.64 2 76.82 157.54 90.57 90.74 0.00 1 0.00 1 0 25 1.906e-01 7.739e-03 1.623e-01 4.117e-03 5.745225e-01 2.207288e-03 7.305459e-03 -6.000000e+00 1.123005e-01 221.46 -2.00 3.88 -2.00 320.60 0.00e+00 2.171783e-03 7.405935e-04 4.980858e-04 -6.000000e+00 4.851525e-03 265.73 -2.00 20.00 -2.00 320.31 0.00e+00 4.279 0.002 302.00 328.00 3 3.2569e+00 6.3307e-03 5.3143e-02 -6.0000e+00 2.7695e-01 1.4506e-01 7.9807e-03 3.2833e-02 -6.0000e+00 3.0182e-01 -8.7356e-02 8.5216e-03 1.8075e-02 -6.0000e+00 1.7778e-01 2.5578e-02 4.4506e-03 5.9921e-03 -6.0000e+00 7.5415e-02 1.5013e-04 -6.2140e-04 1.2861e-04 7.7029e-05 -6.0000e+00 5.7504e-03 -4.1694e-02 1.0896e-04 11 8 0 10 0 0 98.90 22.19 0.33 -0.04169 -0.04636 53 10 1 5 0 955.336 25.28 20.00 22.19 6.83 33.8 1006.67 37075 -83026 900000 -103622 87958 -33181 900000 -9336 -35210 17884 -46632 900000 -73783 -4336 -34463 32286 -42590 -6724 1426 -5150 37633 -22665 17541 -16659 29774 -23062 30304 -4064 -11551 17564 -11097 25014 -16580 2463 -11767 7129 -9139 5296 137 -526 -6 1273 2705 -6988 7915 -6465 3710 -4124 7433 2909 2611 3316 -785 4496 -2537 4337 -1626 1796 -2579 1533 3172 1931 3169 149 2129 -1445 4171 -2905 4445 429 1230 -36 -990 1279 -817 625 -2219 838 -486 -504 -538 -476 -1258 -1512 -656 -1508 367 -1255 1022 218 635 1258 -423 1586 -665 1993 5 847 -791 112 -437 -40 -83 155 -499 -1406 -242 -419 -61 -451 209 -40 -497 -67 -238 915 51 612 71 -4 -769 140 179 -38 426 -111 1235 320 443 -208 592 -542 259 405 -148 -21 37 525 -823 44 -255 -19 -33 149 -1139 900000 -1864 353 -292 900000 -76 -404 138 -681 900000 -1755 -68 -864 527 -1525 -191 41 -164 846 -883 489 -669 848 -1117 932 -168 -505 609 -552 1039 -1146 155 -852 428 -669 387 13 -57 -1 168 373 -1091 1091 -1038 551 -672 1123 482 467 649 -175 1030 -661 1105 -452 488 -720 404 833 546 981 53 791 -559 1495 -1114 1685 189 595 -19 -528 647 -394 272 -912 324 -201 -235 -290 -292 -857 -1106 -503 -1239 312 -1124 906 191 528 974 -315 1142 -517 1688 5 927 -961 140 -535 -46 -87 155 -521 -1566 -280 -512 -80 -639 321 -65 -833 -110 -374 1358 75 905 110 -6 -1279 228 282 -58 629 -160 1693 438 642 -334 1027 -1011 501 815 -315 -46 86 1225 -1955 102 -574 -41 -67 SS 20240116T100550.6Z 8781.420724 134 1 50.13 2 76.52 158.81 89.76 91.77 0.00 1 0.00 1 0 25 1.362e-01 4.633e-03 1.053e-01 2.849e-03 5.622572e-01 1.506844e-03 7.150012e-03 -6.000000e+00 7.970709e-02 221.46 -2.00 3.88 -2.00 320.50 0.00e+00 2.124789e-03 4.982617e-04 4.750769e-04 -6.000000e+00 3.269442e-03 265.73 -2.00 20.00 -2.00 320.22 0.00e+00 4.189 0.002 302.00 328.00 3 2.8178e+00 4.2989e-03 5.1981e-02 -6.0000e+00 1.9664e-01 1.0101e-01 5.4105e-03 3.2071e-02 -6.0000e+00 2.1419e-01 -3.4592e-02 5.7848e-03 1.7630e-02 -6.0000e+00 1.2650e-01 6.8818e-05 3.0284e-03 5.8307e-03 -6.0000e+00 5.3520e-02 2.6010e-04 -3.9331e-04 8.7952e-05 7.3705e-05 -6.0000e+00 4.0788e-03 -4.2232e-02 1.3448e-04 10 0 0 10 0 0 93.93 22.20 0.18 -0.04223 -0.04519 80 16 1 5 0 625.081 25.28 20.00 22.20 6.92 33.6 1007.01 -76763 6488 -53678 -15224 41419 -46871 -23351 -74800 -17182 -59322 6176 -7143 17377 -26801 16681 7314 5776 4213 -6601 6057 -7275 2130 4060 11660 -321 1432 -4894 -4135 -9857 -3810 14075 5225 3986 160 -2902 -3939 -3013 -2062 -5503 -214 -1435 1182 -1714 -1983 -4847 1765 -652 1269 -1766 605 1886 1003 992 698 811 -266 1289 1635 -606 922 -678 1762 618 1342 -131 941 -460 -912 926 1021 176 -715 580 -676 883 -108 359 147 571 70 -86 33 -1653 -641 -814 -412 -1052 19 221 442 1059 781 811 1026 325 162 795 675 -83 -393 -65 -257 83 287 -887 -847 -539 -11 -195 -71 -172 -507 -492 -48 89 624 706 159 335 -344 -674 -280 182 109 99 30 455 986 433 352 1 -200 -34 246 141 -113 127 97 -114 -307 -265 86 -22 -842 40 -613 -126 198 -472 -199 -1102 -172 -926 58 -82 189 -520 270 151 136 110 -204 176 -247 68 130 372 -12 57 -212 -176 -437 -165 575 267 235 11 -199 -270 -216 -167 -549 -24 -186 163 -257 -308 -788 274 -106 206 -305 107 356 210 228 174 214 -74 365 467 -174 257 -194 526 207 494 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