File name: Pandora21s1_Bremen_20220402_L2Fit_fout2c9d20211128p1-8.txt File generation date: 20250424T083130.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v9d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220402_L1_smca1c9d20211128p1-8.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: 20220402 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 20220402T064335.2Z 8127.280268 103 1 49.71 2 74.83 102.25 81.17 90.87 0.00 1 0.00 1 0 25 1.998e-01 5.074e-03 1.229e-01 1.862e-03 6.373494e-01 1.007358e-03 7.976033e-03 -6.000000e+00 1.186622e-01 226.51 -2.00 3.88 -2.00 320.78 0.00e+00 1.287903e-03 3.541538e-04 5.892367e-04 -6.000000e+00 4.784637e-03 270.52 -2.00 20.00 -2.00 320.48 0.00e+00 3.750 0.001 302.00 328.00 3 2.2374e+00 2.9397e-03 5.2677e-02 -6.0000e+00 2.9601e-01 5.3351e-02 3.8613e-03 3.7373e-02 -6.0000e+00 3.2175e-01 -2.6400e-02 4.3591e-03 2.0567e-02 -6.0000e+00 1.8932e-01 -1.4764e-03 2.2329e-03 6.7350e-03 -6.0000e+00 7.8978e-02 6.3335e-04 -8.9225e-04 5.6753e-05 8.5718e-05 -6.0000e+00 5.9930e-03 2.4674e-03 0.0000e+00 10 0 0 10 0 0 94.65 22.21 0.19 0.00247 -0.00424 168 33 1 5 0 295.315 25.17 20.01 22.21 8.43 27.7 1010.06 -93621 -84401 -70267 -1616 -54842 94819 -80475 -31991 -83428 -4065 -55227 -2522 -6183 -30210 -2684 -26280 -6096 -25582 8815 -20508 -12586 -9018 2649 -1506 -4942 860 -14960 -3403 -18263 37 2139 3638 -3266 -1272 2506 -2660 -378 -8978 -1056 -5229 -1158 -2332 -819 -320 594 -2569 -2077 963 -895 2213 506 1983 876 898 2103 -490 1419 7 868 -364 2574 1232 1541 449 705 1513 1219 1553 1360 918 -154 113 -243 193 -471 247 1013 34 824 -564 -320 -1327 -1589 -1371 -1189 -502 -457 -236 -237 547 599 1411 1150 1564 834 710 970 214 -339 -330 -132 -425 677 162 -734 -874 -655 -638 -297 -211 -276 -112 -222 28 290 815 571 361 45 -601 -536 -317 -294 -197 50 241 808 1170 556 343 121 245 131 222 -200 -156 -17 -8 -435 -123 -82 -61 229 -664 -643 -511 -6 -334 172 -655 -191 -882 -23 -536 -17 -53 -395 -34 -479 -105 -576 159 -505 -300 -213 59 -37 -137 24 -494 -101 -616 1 72 142 -155 -64 122 -136 -20 -608 -80 -489 -118 -262 -96 -38 72 -327 -270 125 -124 317 81 346 170 189 467 -117 344 2 210 -88 614 321 446 146 244 522 417 539 510 389 -73 56 -122 93 -212 101 381 13 331 -263 -172 -818 -1079 -992 -910 -405 -386 -205 -207 464 482 1062 830 1127 651 624 965 241 -416 -416 -160 -480 699 164 -775 -976 -765 -786 -390 -302 -431 -184 -372 46 458 1229 851 551 71 -999 -899 -520 -467 -303 74 346 1123 1630 834 567 217 466 261 461 -437 -356 -41 -19 -1042 -289 -186 -132 477 SS 20220402T065103.1Z 8127.285452 107 1 49.54 2 73.74 103.81 80.06 92.31 0.00 1 0.00 1 0 25 2.215e-01 5.791e-03 1.061e-01 1.622e-03 5.970641e-01 8.698536e-04 7.536583e-03 -6.000000e+00 1.315608e-01 226.51 -2.00 3.88 -2.00 320.54 0.00e+00 1.111262e-03 2.882476e-04 4.941636e-04 -6.000000e+00 5.304656e-03 270.53 -2.00 20.00 -2.00 320.25 0.00e+00 3.513 0.001 302.00 328.00 3 2.3434e+00 2.5001e-03 4.9248e-02 -6.0000e+00 3.2819e-01 4.2586e-02 3.1668e-03 3.4712e-02 -6.0000e+00 3.5672e-01 -2.2839e-02 3.4185e-03 1.8782e-02 -6.0000e+00 2.0989e-01 -4.4208e-04 1.7757e-03 6.0427e-03 -6.0000e+00 8.7564e-02 7.4821e-04 -7.9570e-04 4.9643e-05 7.6053e-05 -6.0000e+00 6.6443e-03 2.3679e-03 0.0000e+00 10 0 0 10 0 0 92.25 22.21 0.20 0.00237 -0.00361 161 32 1 5 0 307.649 25.17 20.00 22.21 8.71 28.0 1011.68 -99052 17286 -73815 28712 -103521 105940 -90842 90380 -44303 -43270 -28706 -44691 14069 -35734 31459 -23987 11193 -12812 2874 -19997 -5198 4802 -12596 11505 -15747 14833 -11607 6145 -10978 4834 -5171 -5414 4992 -8323 4689 -7264 8657 -5754 1669 -1423 -647 -1576 -3541 1126 -2271 1663 -1198 2895 -1538 2593 1648 1692 1170 95 1859 -494 1985 -1416 2128 -1139 3089 799 1380 890 -410 1540 471 2174 409 1468 -170 100 -677 -134 155 -547 1333 -363 1410 -628 269 -889 -1238 -1474 -1558 -502 -936 100 -307 674 577 1166 1156 1428 1138 243 940 116 14 -619 14 -621 620 108 -878 -938 -936 -246 -475 62 -267 -155 -214 287 331 466 752 346 227 -676 -416 -342 -140 -355 87 299 658 1346 316 428 80 271 85 247 -167 -250 48 -85 -320 -367 62 -179 352 -1052 75 -780 121 -1354 206 -1122 247 -459 -483 -301 -600 135 -650 386 -559 215 -333 70 -630 -149 128 -408 324 -613 466 -472 211 -436 175 -231 -282 269 -544 272 -470 520 -459 150 -155 -79 -212 -510 160 -339 243 -184 438 -252 433 303 344 262 23 475 -135 547 -406 581 -316 840 238 455 326 -161 594 180 829 170 679 -88 54 -373 -71 76 -248 551 -150 612 -317 155 -584 -892 -1134 -1269 -429 -842 92 -285 606 494 933 883 1086 927 223 967 134 18 -797 18 -718 659 113 -960 -1081 -1130 -310 -641 90 -421 -257 -361 472 521 703 1115 525 360 -1121 -696 -562 -223 -550 131 432 921 1877 473 701 142 505 166 500 -355 -556 109 -198 -744 -840 135 -378 716 SS 20220402T065635.8Z 8127.289303 110 1 17.77 2 72.93 104.98 79.23 93.38 0.00 1 0.00 1 0 25 2.419e-01 5.434e-03 1.116e-01 2.271e-03 5.712144e-01 1.200484e-03 7.285059e-03 -6.000000e+00 1.436756e-01 226.51 -2.00 3.88 -2.00 320.04 0.00e+00 2.554670e-04 3.542403e-04 3.924325e-04 -6.000000e+00 5.792434e-03 270.53 -2.00 20.00 -2.00 319.75 0.00e+00 3.356 0.001 302.00 328.00 3 2.6138e+00 3.3648e-03 4.6930e-02 -6.0000e+00 3.5841e-01 3.6585e-02 4.0760e-03 3.2807e-02 -6.0000e+00 3.8955e-01 -1.1442e-02 4.0791e-03 1.7309e-02 -6.0000e+00 2.2921e-01 -6.1056e-03 2.1634e-03 5.4019e-03 -6.0000e+00 9.5639e-02 6.8324e-04 -5.3558e-04 6.8104e-05 6.6142e-05 -6.0000e+00 7.2547e-03 1.3446e-03 0.0000e+00 12 1 1 12 1 1 73.07 22.21 0.17 0.00134 -0.00268 41 23 1 5 0 418.810 25.17 20.00 22.21 8.90 27.9 1012.68 -77295 251749 -49154 14827 -14131 40774 -24785 -22548 -14551 -27549 10080 -34099 17783 -30709 16415 -8518 3676 -5489 -2659 1626 -4009 3320 -5069 -590 -7233 4847 -8964 2459 -7789 -4204 7201 494 8129 -7289 5533 -8671 1372 -5998 -2516 -3003 -676 -907 -1475 731 -2547 97 185 -294 -545 123 1254 -774 2901 285 684 -566 1475 -461 -144 368 861 1779 1342 1175 -163 1279 569 1779 567 1314 151 -62 -72 -474 280 -905 518 109 1021 -545 -114 -897 -1364 -987 -1377 -518 -616 2 -237 42 528 1074 981 1242 1371 521 872 164 -64 -418 -266 -277 13 195 -1052 -531 -1030 -249 -464 47 -245 -230 -143 16 560 605 809 330 158 -618 -478 -384 -129 -47 9 355 521 1358 445 374 81 153 120 19 -32 -195 18 -153 -376 -346 -92 15 320 -1036 558 -625 104 -125 218 -259 -250 -170 -401 114 -604 238 -755 325 -244 105 -190 -97 60 -162 127 -211 -26 -366 231 -502 121 -416 -226 391 34 583 -628 437 -753 122 -643 -318 -455 -114 -160 -275 137 -500 19 36 -59 -114 27 296 -207 821 90 228 -192 506 -162 -50 129 307 649 548 532 -79 608 266 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