File name: Pandora21s1_Bremen_20220328_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240903T111948.9Z 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_20220328_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: 20220328 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 20220328T120707.5Z 8122.504948 285 1 21.63 2 50.58 192.09 86.24 228.10 0.00 1 0.00 1 0 17 9.135e-03 5.193e-03 5.930e-03 2.253e-03 2.594143e-01 1.170844e-03 3.498404e-03 -6.000000e+00 5.417604e-03 226.11 -2.00 3.88 -2.00 316.77 0.00e+00 8.095043e-05 1.369593e-04 5.429089e-05 -6.000000e+00 2.187702e-04 269.92 -2.00 20.00 -2.00 316.48 0.00e+00 1.571 0.000 302.00 328.00 3 4.9643e+00 3.0499e-03 2.1507e-02 -6.0000e+00 1.3502e-02 6.4213e-02 3.4016e-03 1.4584e-02 -6.0000e+00 1.4680e-02 -1.0563e-02 2.0233e-03 7.2990e-03 -6.0000e+00 8.6403e-03 2.7086e-04 9.7395e-04 2.1053e-03 -6.0000e+00 3.6077e-03 5.4814e-04 -2.2688e-04 6.9430e-05 2.7294e-05 -6.0000e+00 2.7399e-04 2.2621e-03 0.0000e+00 12 1 1 12 1 1 99.91 22.33 0.17 0.00226 0.00056 12 6 1 5 0 1650.170 25.39 20.00 22.33 19.40 29.0 1050.14 -1568 -1532 -1813 305 -5020 1122 950 1013 1479 -375 -573 1337 -1264 -2378 1974 -1142 -764 -327 -159 218 355 1829 1558 1612 -246 1265 -2187 -324 580 486 -223 1513 1550 -670 -849 -1407 402 -1078 863 -597 -1092 -966 -304 -625 -598 -1092 -704 -513 -886 308 -399 707 652 912 792 889 855 591 17 988 1370 1054 1091 651 11 196 -236 15 552 75 -61 198 -223 145 118 258 -832 -249 252 -428 -191 -1253 -1135 -1250 -1214 -536 -359 -117 -96 278 141 334 264 881 799 678 757 528 -212 55 -232 -616 369 368 -925 -820 -651 -256 -161 248 -201 239 -221 9 34 303 -174 199 130 -190 -267 55 -26 10 214 59 743 977 669 665 107 104 86 327 -190 -160 273 -114 -177 -73 -89 -612 -318 -211 -224 -272 43 -682 138 121 142 227 -62 -95 225 -237 -508 455 -295 -207 -91 -46 64 107 544 471 508 -83 433 -770 -108 182 149 -71 508 553 -250 -309 -505 150 -459 418 -331 -660 -610 -195 -408 -390 -713 -453 -323 -552 191 -256 472 456 662 591 675 658 457 13 748 1051 847 928 581 10 171 -195 12 455 67 -58 196 -223 142 110 226 -682 -194 197 -361 -175 -1245 -1190 -1363 -1379 -635 -442 -148 -121 346 169 375 279 895 826 743 890 665 -280 73 -301 -761 434 432 -1142 -1057 -866 -349 -228 363 -304 367 -336 13 47 402 -228 263 179 -273 -393 80 -37 14 294 79 954 1235 870 903 151 151 127 489 -294 -257 446 -190 -296 -121 -145 -979 -499 SS 20220328T150548.2Z 8122.629030 392 1 2.40 2 66.65 241.63 108.91 262.17 0.00 1 0.00 1 0 25 7.525e-02 1.037e-02 6.399e-02 8.499e-03 4.281103e-01 4.408759e-03 5.655690e-03 -6.000000e+00 4.463698e-02 226.12 -2.00 3.88 -2.00 318.28 0.00e+00 9.608530e-04 7.814280e-04 1.567609e-04 -6.000000e+00 1.802229e-03 269.93 -2.00 20.00 -2.00 318.00 0.00e+00 2.504 0.000 302.00 328.00 3 3.8417e+00 1.1745e-02 3.4887e-02 -6.0000e+00 1.1125e-01 6.5073e-02 1.3201e-02 2.4104e-02 -6.0000e+00 1.2095e-01 -1.8123e-02 9.2173e-03 1.2166e-02 -6.0000e+00 7.1188e-02 7.0536e-04 4.9049e-03 3.5681e-03 -6.0000e+00 2.9728e-02 5.2673e-04 -1.8143e-04 2.5481e-04 4.2854e-05 -6.0000e+00 2.2570e-03 1.3187e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.35 0.25 0.00132 -0.00004 1 9 1 5 0 1108.098 25.39 20.00 22.35 17.13 28.8 1034.33 37117 -31647 21885 -23342 -5801 5808 -14626 -12485 3416 43935 -22674 -9420 -18615 -890 503 -5809 7014 -11430 368 -8066 -8198 -723 5466 4530 -8224 7809 7802 3383 -4941 8776 1178 3087 5299 -1861 -6040 836 -1021 -1412 4946 -3642 260 -1030 -1504 -889 4451 1130 -2286 -1586 1609 1327 -1178 776 513 5270 6 326 -515 536 826 25 2402 -151 1232 1058 -32 646 2216 695 1074 1196 -1475 -193 -1090 564 -1537 -502 -189 1565 1751 -1988 878 -2071 -2212 -2405 -950 -1680 130 -1628 -371 62 1432 1374 828 -163 1143 445 935 161 351 -328 -135 -253 647 -1094 313 -1351 -511 53 440 442 -563 -127 319 313 -423 639 136 1398 856 -396 -1108 -706 787 -832 68 -67 906 610 714 510 75 697 677 -505 -965 65 -124 1168 -679 -523 -301 -401 180 990 -1759 787 -1232 -245 215 -684 -637 167 1593 -1557 -615 -1511 -73 48 -658 770 -1578 48 -1188 -1242 -103 760 672 -1451 1250 1261 554 -846 1349 209 598 1105 -432 -1434 185 -244 -385 1489 -1344 102 -431 -653 -391 1892 496 -1033 -713 712 603 -573 396 278 2898 3 198 -319 331 503 15 1457 -98 845 770 -24 475 1561 491 788 946 -1266 -171 -974 487 -1287 -392 -138 1101 1269 -1600 758 -1966 -2222 -2516 -1023 -1892 150 -1939 -440 72 1595 1458 844 -165 1180 492 1110 205 470 -446 -178 -319 776 -1314 385 -1742 -675 72 619 650 -870 -201 503 481 -630 913 193 1988 1259 -605 -1726 -1092 1186 -1240 98 -94 1239 832 1005 756 116 1111 1102 -847 -1674 115 -225 2130 -1255 -958 -539 -699 306