File name: Pandora21s1_Bremen_20230210_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T205216.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 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_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20230210_L1_smca1c6d20211128p1-8.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: 20230210 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]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20230210T075329.4Z 8441.328812 291 1 49.56 2 82.91 125.64 84.50 256.78 0.00 1 0.00 1 0 25 7.220e-01 2.477e-02 3.888e-01 1.606e-02 8.454319e-01 9.334461e-03 1.025546e-02 -6.000000e+00 4.313898e-01 223.17 -2.00 3.88 -2.00 321.85 0.00e+00 1.285934e-02 3.849008e-03 1.188080e-03 -6.000000e+00 1.836698e-02 265.83 -2.00 20.00 -2.00 321.52 0.00e+00 7.463 0.009 302.00 328.00 3 1.3665e+00 2.9257e-02 8.8660e-02 -6.0000e+00 1.0715e+00 9.2493e-01 3.8810e-02 4.9801e-02 -6.0000e+00 1.1687e+00 -9.9569e-01 4.1181e-02 2.8234e-02 -6.0000e+00 6.8182e-01 3.9528e-01 2.0733e-02 9.8651e-03 -6.0000e+00 2.8493e-01 3.2118e-05 -1.8030e-03 4.8388e-04 1.4674e-04 -6.0000e+00 2.2581e-02 -6.7514e-03 0.0000e+00 12 8 8 10 0 0 98.89 22.08 0.50 -0.00675 -0.02030 41 8 1 5 0 1208.579 25.17 20.01 22.08 8.74 30.6 1029.06 -31061 -105724 -59701 5703 -163324 -80014 900000 900000 -142191 900000 -106924 -134554 -166133 -66798 -73361 -76762 153569 46629 -11934 -68839 158123 -64327 900000 4699 4959 -75085 -42406 900000 -69643 544640 5018 165672 -46850 229394 155263 19898 900000 108446 16374 41240 119873 98047 63754 -2639 -11831 37008 29670 50524 14926 36127 14267 50270 22902 57946 -11288 13363 18486 -3562 4444 24505 28428 10521 16054 25697 8602 4587 10547 20012 11159 14780 321 16075 -2757 22134 8006 311 545 -8283 1342 -4857 6406 -2250 2087 -6325 270 -1429 -1477 -1421 5183 4211 1402 5130 -3195 3244 -8991 303 -762 -3758 -2930 -3266 1742 -3266 335 -3116 -481 -2697 551 -2108 -1636 -1351 -1378 -284 -1847 -561 -629 1800 -1573 1484 144 287 1738 199 1892 566 2154 1061 3254 874 418 -740 386 1134 -161 2028 312 -5 -128 535 -602 44 -1127 -1657 -151 -486 -2262 -934 89 -5437 -1252 900000 900000 -3410 900000 -1883 -3431 -7127 -1508 -2256 -2944 2403 730 -332 -3298 2474 -2798 900000 104 110 -3476 -1433 900000 -2990 8522 141 2592 -2979 3589 2430 698 900000 1886 770 1760 2722 2907 2706 -211 -1042 2139 1890 2772 1196 2554 1339 3751 2382 4695 -1794 1735 2304 -534 598 2672 3022 1414 2306 3820 1629 926 2021 3613 2356 3371 92 4162 -845 5099 1923 72 118 -1951 320 -1444 2029 -891 883 -3110 131 -747 -808 -802 2761 2209 718 2389 -1556 1523 -5248 189 -564 -3324 -2877 -3371 1669 -3007 269 -2442 -377 -2278 476 -1999 -1696 -1577 -1821 -408 -2823 -850 -927 2508 -2242 2110 218 450 2692 303 2700 790 2870 1387 4071 1139 604 -1239 723 2309 -354 4663 777 -14 -349 1470 -1669 117 -2901 -3997 -339 SS 20230210T080515.6Z 8441.336986 294 1 49.71 2 81.49 128.14 86.22 259.08 0.00 1 0.00 1 0 17 4.609e-01 9.196e-03 2.841e-01 6.107e-03 7.544490e-01 3.475445e-03 9.061628e-03 -6.000000e+00 2.732436e-01 223.17 -2.00 3.88 -2.00 321.61 0.00e+00 3.308045e-03 1.455226e-03 1.080503e-03 -6.000000e+00 1.228865e-02 265.83 -2.00 20.00 -2.00 321.29 0.00e+00 6.376 0.006 302.00 328.00 3 1.3098e+00 1.0980e-02 7.6786e-02 -6.0000e+00 6.7770e-01 2.5610e-01 1.6468e-02 4.5799e-02 -6.0000e+00 7.3978e-01 -2.2312e-01 2.0116e-02 2.7412e-02 -6.0000e+00 4.3283e-01 7.7773e-02 9.8165e-03 9.7927e-03 -6.0000e+00 1.8591e-01 1.2361e-04 -5.4381e-04 1.9240e-04 1.2949e-04 -6.0000e+00 1.4160e-02 -7.3668e-03 0.0000e+00 11 8 0 10 0 0 96.23 22.08 0.28 -0.00737 -0.01145 105 21 1 5 0 473.379 25.17 20.00 22.08 9.07 30.8 1031.80 900000 900000 -153570 900000 112251 900000 -161180 -120686 900000 -184276 900000 -183022 -183813 -58555 181181 15053 -56240 -18573 129438 -54167 -58131 36020 -52850 -37666 -69679 -47261 -53999 -32566 -3517 -50329 75489 2260 -15644 -39038 66744 -13782 22955 -16797 30183 10234 10890 -92 2924 7875 4056 26626 41 10114 6263 5761 12090 2097 20739 -2714 7664 509 3360 -3861 3458 -2409 -2163 3573 2281 6108 -883 6335 -812 4994 392 474 5389 2453 4805 -3581 2622 -4616 1340 -2159 554 -1339 -239 -514 -1562 -1240 -2195 -969 -315 1064 -177 949 868 1210 1487 2817 -1462 76 196 7 -506 -909 -844 -128 291 119 -1020 -728 -954 -21 441 -141 -470 -663 -688 -140 -932 400 1195 265 705 670 169 799 837 304 -459 -476 -126 995 -242 -44 -473 344 -192 440 109 -206 311 99 -240 -504 112 -391 328 900000 900000 -1054 900000 668 900000 -1180 -718 900000 -2192 900000 -2722 -3515 -455 1078 90 -798 -204 770 -921 -1062 280 -966 -640 -1776 -1024 -1285 -623 -55 -1262 691 49 -479 -1548 1069 -457 566 -673 988 459 557 -6 189 503 258 1478 3 673 461 463 1016 220 2012 -344 941 71 469 -582 474 -343 -313 529 389 1139 -192 1315 -181 1089 98 135 1624 807 1550 -1199 759 -1297 329 -550 151 -439 -92 -217 -746 -638 -1215 -563 -192 661 -112 578 501 655 772 1473 -879 52 157 6 -525 -984 -882 -121 248 97 -876 -661 -919 -22 491 -177 -666 -1026 -1106 -222 -1434 582 1704 392 1089 1079 275 1254 1257 443 -650 -652 -167 1322 -358 -75 -898 670 -400 969 258 -517 806 260 -636 -1310 274 -900 710 SS 20230210T082420.8Z 8441.350241 300 1 49.38 2 79.30 132.26 89.03 262.77 0.00 1 0.00 1 0 25 2.382e-01 4.826e-03 1.100e-01 2.401e-03 6.324805e-01 1.306732e-03 7.859255e-03 -6.000000e+00 1.399349e-01 223.17 -2.00 3.88 -2.00 321.01 0.00e+00 3.879952e-03 4.834201e-04 6.811335e-04 -6.000000e+00 5.708120e-03 265.83 -2.00 20.00 -2.00 320.71 0.00e+00 5.187 0.003 302.00 328.00 3 1.1129e+00 3.8982e-03 6.2709e-02 -6.0000e+00 3.4649e-01 1.4114e-01 5.2183e-03 3.7146e-02 -6.0000e+00 3.7729e-01 -7.8405e-02 5.9647e-03 2.0991e-02 -6.0000e+00 2.2255e-01 1.6235e-02 3.0241e-03 7.1365e-03 -6.0000e+00 9.3638e-02 5.2076e-04 -5.4475e-04 7.4868e-05 9.3198e-05 -6.0000e+00 7.1372e-03 -7.6867e-03 0.0000e+00 10 0 0 10 0 0 89.67 22.07 0.23 -0.00769 -0.01178 249 49 1 5 0 198.282 25.17 19.99 22.07 9.94 31.2 1035.46 -98264 -80349 -82492 -105536 -37332 -81740 -113971 -3877 -84899 -47548 -84410 -9305 -36480 -43499 -19573 -15084 3043 -13353 -9338 4741 2348 14066 -7979 2413 2672 -4982 -13688 -11749 -16529 -527 1236 1543 280 3623 2462 712 11967 4003 2835 -1908 -3474 -894 3027 -2818 -1569 406 -2584 642 -975 2037 252 5358 798 2311 461 479 -975 423 -1912 523 1050 1074 1858 1326 863 1085 1198 2045 1263 1445 187 352 -32 788 -1116 -350 11 -1007 -24 -313 -162 -1310 -1233 -1405 -764 -896 -64 342 114 171 169 558 499 1271 -12 226 1021 632 -18 -500 75 -513 408 186 -328 -558 -392 -561 114 -7 -455 -422 -594 -377 -4 751 687 742 472 -50 -228 167 273 -239 -183 -194 709 986 530 12 -263 -327 -219 210 -72 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