File name: Pandora21s1_Bremen_20221221_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T131633.1Z 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_20221221_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: 20221221 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 20221221T113508.8Z 8390.482741 231 1 3.02 2 76.57 182.91 81.60 210.11 0.00 1 0.00 1 0 17 1.038e-01 7.209e-03 8.164e-02 4.930e-03 4.992343e-01 2.527823e-03 6.525230e-03 -6.000000e+00 6.036691e-02 220.22 -2.00 3.88 -2.00 319.37 0.00e+00 2.518020e-03 6.247685e-04 2.722556e-04 -6.000000e+00 2.489977e-03 267.18 -2.00 20.00 -2.00 319.10 0.00e+00 4.202 0.002 302.00 328.00 3 1.9631e+00 6.8564e-03 4.9651e-02 -6.0000e+00 1.4853e-01 9.7052e-02 7.9461e-03 2.7734e-02 -6.0000e+00 1.6200e-01 -5.7385e-02 6.8463e-03 1.4501e-02 -6.0000e+00 9.5755e-02 1.7571e-02 3.7211e-03 4.5248e-03 -6.0000e+00 4.0552e-02 6.6071e-04 -5.0284e-04 1.4794e-04 5.4971e-05 -6.0000e+00 3.1083e-03 -3.2675e-02 1.1101e-04 12 9 1 12 1 1 93.32 22.10 0.21 -0.03267 -0.03645 7 28 1 5 0 354.147 25.17 20.00 22.10 15.26 30.3 1007.08 -5168 -26446 -637 -1967 -19573 46683 -36187 55193 -52263 -14572 -40870 374 -22298 -12040 4279 -13016 7553 -13669 23344 -9846 6967 -9531 1144 480 -93 6070 -10087 3125 -2890 4924 -13634 1489 -2334 -287 -1760 -4166 1318 -29 326 -3737 3933 -3005 1663 -3210 1550 495 -589 230 533 2569 476 3456 2308 -755 973 784 2406 -444 938 -1587 2474 582 2417 791 299 830 763 -85 -311 948 -536 -283 203 752 300 -61 -683 -1340 1296 -1052 488 -1655 -1175 -1233 -1034 -1391 -574 439 160 241 529 359 414 522 -216 445 750 716 -427 -1011 217 -574 681 -230 -166 -1065 -841 233 -328 205 -15 100 -911 177 198 596 775 276 1246 -398 -235 -273 -245 -439 477 -309 871 1440 546 271 -411 -239 -246 322 175 202 -291 157 -499 -233 105 -364 117 -84 -596 -12 -38 -419 538 -896 672 -1811 -390 -1443 10 -836 -498 184 -755 406 -960 1260 -749 471 -753 84 37 -8 505 -990 269 -258 419 -1501 163 -297 -38 -238 -569 180 -5 60 -835 919 -801 445 -923 434 142 -173 68 160 784 157 1204 874 -312 416 347 1074 -204 422 -720 1102 278 1237 444 176 485 435 -48 -186 612 -379 -210 151 545 207 -39 -414 -794 782 -712 364 -1374 -1044 -1151 -1005 -1419 -605 473 174 259 546 353 389 482 -209 462 849 881 -562 -1363 284 -717 799 -267 -198 -1332 -1089 310 -458 302 -23 162 -1493 283 305 886 1133 410 1901 -635 -380 -438 -387 -679 716 -454 1241 2035 807 426 -687 -415 -437 587 331 394 -581 318 -1018 -472 206 -698 218 SS 20221221T120340.3Z 8390.502549 244 1 23.11 2 77.03 189.61 83.93 216.06 0.00 1 0.00 1 0 17 1.935e-01 7.357e-03 1.515e-01 4.982e-03 5.161058e-01 2.591365e-03 6.676725e-03 -6.000000e+00 1.124653e-01 220.22 -2.00 3.88 -2.00 320.14 0.00e+00 2.019181e-03 7.726343e-04 3.588826e-04 -6.000000e+00 4.639878e-03 267.18 -2.00 20.00 -2.00 319.85 0.00e+00 4.343 0.002 302.00 328.00 3 3.2477e+00 7.2451e-03 5.1442e-02 -6.0000e+00 2.7672e-01 1.4725e-01 8.7202e-03 2.9010e-02 -6.0000e+00 3.0186e-01 -6.4395e-02 8.4739e-03 1.5528e-02 -6.0000e+00 1.7843e-01 1.5780e-02 4.5155e-03 4.9981e-03 -6.0000e+00 7.5529e-02 1.5292e-04 -8.7271e-04 1.5458e-04 6.3810e-05 -6.0000e+00 5.7941e-03 -3.1193e-02 3.0058e-05 12 9 1 12 1 1 99.98 22.10 0.23 -0.03119 -0.03775 21 9 1 5 0 1042.195 25.17 20.00 22.10 15.73 30.5 1009.84 66082 -70280 -33627 -66115 -36466 -5017 -23762 754 -41769 60234 -45500 142657 -47309 34413 1723 6816 -17377 -2972 10404 -20883 7674 -19722 11115 -12863 10113 -11916 -5620 -3628 -4288 2102 -1195 23189 6597 2402 -6077 9833 -4845 718 3792 -5174 1310 -4716 5239 -4097 1349 -825 3894 -3222 -1563 1140 -931 2628 -690 2346 1654 3115 -101 -718 868 1466 1809 426 5781 165 4087 -1485 1804 5 998 -63 63 897 -1190 645 -337 2518 -1761 79 -938 -1316 -913 -1566 -88 -1252 -1979 -975 -917 -1132 234 478 320 750 279 1462 -177 1370 853 356 -375 -12 218 -970 1227 -159 -115 -954 -538 -564 272 12 31 -146 -534 224 -81 453 276 718 -90 -311 -360 55 162 -573 454 94 568 677 1179 -245 74 -554 91 331 -145 86 -123 449 -159 -121 -158 -540 165 369 -1490 -556 -1440 -582 -59 -342 10 -857 549 -1089 710 -1444 623 50 217 -762 -124 413 -1149 337 -1119 491 -746 511 -773 -351 -220 -256 121 -78 1392 519 211 -576 794 -473 76 465 -812 218 -899 955 -840 267 -169 773 -692 -339 251 -224 670 -197 700 524 1013 -35 -250 294 486 607 154 2196 72 1831 -697 797 2 468 -33 36 545 -744 385 -191 1272 -853 36 -458 -725 -573 -1109 -67 -1026 -1723 -890 -879 -1124 231 463 296 649 229 1171 -151 1277 895 418 -478 -16 276 -1157 1336 -171 -128 -1131 -665 -731 371 18 50 -243 -901 367 -127 678 406 1068 -140 -506 -598 91 259 -896 681 136 798 946 1728 -394 127 -1010 171 645 -296 184 -271 998 -356 -268 -341 -1119 330 SS 20221221T120812.5Z 8390.505701 247 1 49.68 2 77.15 190.67 84.33 216.99 0.00 1 0.00 1 0 25 6.235e-02 4.080e-03 3.184e-02 1.187e-03 5.211300e-01 6.184840e-04 6.677735e-03 -6.000000e+00 3.625113e-02 220.22 -2.00 3.88 -2.00 320.31 0.00e+00 1.719975e-03 1.949143e-04 3.975255e-04 -6.000000e+00 1.495403e-03 267.18 -2.00 20.00 -2.00 320.01 0.00e+00 4.381 0.002 302.00 328.00 3 1.1795e+00 1.7385e-03 5.1923e-02 -6.0000e+00 8.9197e-02 9.1472e-02 2.1369e-03 2.9399e-02 -6.0000e+00 9.7290e-02 -3.6908e-02 2.1826e-03 1.5961e-02 -6.0000e+00 5.7507e-02 2.8778e-03 1.1541e-03 5.2204e-03 -6.0000e+00 2.4348e-02 1.1959e-03 -7.7145e-04 3.7216e-05 6.5861e-05 -6.0000e+00 1.8671e-03 -3.1796e-02 7.6677e-05 10 0 0 10 0 0 99.62 22.10 0.21 -0.03180 -0.03759 318 62 1 5 0 156.190 25.17 20.00 22.10 15.87 30.6 1010.84 -16683 -15697 -31883 -27281 -30912 -11599 -16266 -16003 -12298 -16455 -8418 -11705 -9413 -16469 -4570 -14141 -4614 63 -173 -353 -621 -365 -2728 -5703 -3049 -2703 -2603 -4863 -1960 -2094 1 -870 2761 -319 506 -1115 -1379 -1189 -485 -145 -2133 -1767 -1574 -1242 -1034 -1023 -1102 -568 -1049 358 529 846 841 967 849 639 799 294 642 595 1005 1627 1412 1045 251 767 354 599 1015 839 115 342 63 211 199 64 339 -152 27 -523 -886 -995 -1501 -1210 -1272 -722 -244 -98 96 417 706 556 782 862 777 483 854 574 69 -270 -96 -396 307 468 -640 -753 -642 -332 -63 -90 -293 -322 -284 -305 2 367 672 395 209 -321 -382 16 3 -113 108 50 427 1009 483 179 18 -112 -46 246 -1 -110 22 243 -226 -168 -143 -169 34 -149 -164 -423 -344 -381 -114 -175 -192 -160 -244 -122 -192 -164 -383 -116 -468 -157 2 -6 -13 -24 -14 -113 -260 -147 -137 -135 -255 -98 -107 0 -57 198 -26 40 -89 -117 -116 -57 -20 -320 -287 -269 -219 -184 -185 -202 -105 -201 71 112 197 215 266 248 195 251 94 200 183 312 538 519 427 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