File name: Pandora21s1_Bremen_20220315_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T101419.7Z 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_20220315_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: 20220315 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 20220315T103555.8Z 8109.441618 399 1 50.52 2 56.45 162.60 106.88 16.18 0.00 1 0.00 1 0 25 4.270e-02 6.302e-03 3.683e-02 4.000e-03 3.977624e-01 2.071581e-03 5.272089e-03 -6.000000e+00 2.521437e-02 225.02 -2.00 3.88 -2.00 318.94 0.00e+00 -3.980284e-04 4.364093e-04 1.692265e-04 -6.000000e+00 1.022749e-03 268.29 -2.00 20.00 -2.00 318.65 0.00e+00 1.804 0.000 302.00 328.00 3 6.0174e+00 5.5842e-03 2.9027e-02 -6.0000e+00 6.2686e-02 5.7683e-02 6.3486e-03 2.2416e-02 -6.0000e+00 6.8217e-02 -9.3167e-03 4.8117e-03 1.1482e-02 -6.0000e+00 4.0185e-02 -3.7444e-03 2.5843e-03 3.4402e-03 -6.0000e+00 1.6801e-02 1.2102e-04 -5.0827e-04 1.2516e-04 4.2468e-05 -6.0000e+00 1.2805e-03 -1.6857e-02 -2.7411e-05 10 0 0 10 0 0 96.07 22.26 0.25 -0.01686 -0.02068 13 3 1 5 0 3885.398 25.28 19.99 22.26 18.11 28.7 1051.41 6394 2713 -6881 -22566 -9368 9913 -12414 -1434 -21614 17935 -6728 2063 4627 -10038 -8266 -11161 -2644 -967 6437 -363 -5955 -2206 -2512 4583 -5191 1371 7918 2651 -669 4174 -15 1413 427 -4528 2870 -305 -1370 -5793 722 -1151 44 -460 749 -2062 -2753 461 -812 -1229 214 1958 2304 -159 -1021 839 2169 852 1050 444 384 769 1442 1296 1506 1062 836 1633 418 2047 -1434 501 356 1190 25 -559 -133 -280 -843 -1673 -154 -890 18 -1222 -2045 -1443 -1126 -520 -456 -105 215 -383 146 374 817 429 885 278 1071 697 -217 -248 350 -526 101 156 -1037 -810 -440 -302 -167 502 198 156 -170 119 -359 403 98 -59 -192 -390 75 -516 95 -122 683 144 704 1196 450 235 -305 343 457 521 -200 -46 190 -294 -170 -429 -3 -461 47 177 87 -251 -926 -317 272 -441 -51 -1046 642 -315 94 234 -684 -647 -1014 -240 -92 600 -38 -670 -242 -284 515 -687 179 978 333 -83 497 -2 206 69 -805 467 -50 -244 -1245 174 -331 14 -156 260 -749 -1011 165 -293 -442 76 704 872 -66 -461 395 1054 433 545 232 198 390 739 706 888 676 549 1034 255 1212 -921 349 271 946 20 -440 -98 -190 -527 -1011 -95 -613 14 -1047 -1903 -1408 -1155 -561 -516 -122 251 -438 158 376 766 393 841 289 1224 876 -293 -340 460 -649 117 178 -1253 -1030 -581 -415 -241 765 320 260 -283 191 -546 580 138 -86 -289 -616 120 -827 148 -185 991 202 947 1586 627 351 -487 565 774 908 -365 -87 371 -586 -340 -851 -5 -855 84 SS 20220315T104035.0Z 8109.444849 401 1 48.71 2 56.25 163.97 106.70 17.27 0.00 1 0.00 1 0 25 4.159e-02 6.065e-03 2.782e-02 3.196e-03 3.855941e-01 1.653105e-03 5.131461e-03 -6.000000e+00 2.455994e-02 225.02 -2.00 3.88 -2.00 318.91 0.00e+00 1.808816e-05 3.442802e-04 1.602973e-04 -6.000000e+00 9.961879e-04 268.29 -2.00 20.00 -2.00 318.61 0.00e+00 1.794 0.000 302.00 328.00 3 5.6529e+00 4.4515e-03 2.8434e-02 -6.0000e+00 6.1059e-02 2.3826e-02 5.0582e-03 2.1770e-02 -6.0000e+00 6.6446e-02 6.5017e-04 3.8169e-03 1.1149e-02 -6.0000e+00 3.9142e-02 -4.6259e-03 2.0481e-03 3.3355e-03 -6.0000e+00 1.6365e-02 1.8160e-04 -4.8973e-04 1.0035e-04 4.1463e-05 -6.0000e+00 1.2473e-03 -1.6300e-02 -2.9142e-06 10 0 0 10 0 0 98.28 22.26 0.24 -0.01630 -0.01998 16 3 1 5 0 3043.921 25.28 20.00 22.26 18.27 28.6 1052.00 -26325 -16642 6750 -1622 -13816 7779 -21983 5170 -12464 -4026 -424 -6878 1520 -4512 879 -6264 5286 1001 -2591 -3405 -1920 5873 -6285 4713 -3411 -1147 -2374 2564 -4441 1127 3358 -950 5077 -1586 1448 483 94 -424 1184 -1120 -812 -323 -693 -1058 -1498 170 -922 -92 -482 -313 1459 304 -895 289 652 888 359 557 1396 848 1124 1350 1139 1251 -385 2027 -233 307 -51 1350 191 -211 147 -471 913 -276 730 81 910 88 -564 -1487 -1535 -1310 -1332 -599 -691 150 -163 -152 -8 498 408 1375 1258 149 1077 316 -417 -579 542 -197 -295 217 -1149 -987 -560 -143 -77 372 138 82 89 -43 -79 236 342 -201 139 -770 -784 -227 -179 123 564 511 227 1676 346 389 301 473 197 450 295 -223 62 63 -341 -406 -145 -439 -185 -1017 -657 224 -57 -503 224 -880 179 -568 -182 -19 -350 81 -299 65 -556 455 95 -270 -372 -213 610 -754 540 -452 -156 -330 329 -585 141 440 -144 798 -279 243 81 17 -88 288 -326 -262 -111 -247 -386 -551 62 -338 -33 -176 -117 564 128 -408 138 324 455 189 293 719 434 584 743 682 803 -258 1290 -144 186 -33 938 147 -171 119 -373 673 -189 455 48 562 61 -437 -1283 -1426 -1280 -1371 -648 -785 175 -192 -174 -9 503 387 1257 1196 156 1231 399 -563 -793 710 -243 -342 248 -1394 -1260 -743 -197 -111 568 223 137 147 -69 -119 339 481 -289 209 -1216 -1266 -363 -280 186 822 717 307 2223 484 583 477 777 333 782 535 -423 121 124 -680 -802 -278 -812 -333 SS 20220315T105031.4Z 8109.451752 407 1 51.19 2 55.87 166.93 106.27 19.58 0.00 1 0.00 1 0 27 4.525e-02 5.687e-03 3.303e-02 3.846e-03 3.867525e-01 1.988169e-03 5.138214e-03 -6.000000e+00 2.671984e-02 225.02 -2.00 3.88 -2.00 318.89 0.00e+00 4.898814e-04 4.126342e-04 1.604530e-04 -6.000000e+00 1.083745e-03 268.29 -2.00 20.00 -2.00 318.60 0.00e+00 1.777 0.000 302.00 328.00 3 6.0237e+00 5.3515e-03 2.8366e-02 -6.0000e+00 6.6429e-02 4.1452e-02 6.0749e-03 2.1802e-02 -6.0000e+00 7.2288e-02 -3.2000e-03 4.5570e-03 1.1148e-02 -6.0000e+00 4.2583e-02 -3.6203e-03 2.4445e-03 3.3297e-03 -6.0000e+00 1.7806e-02 1.2584e-04 -4.1939e-04 1.2042e-04 4.1409e-05 -6.0000e+00 1.3568e-03 -1.6717e-02 2.7990e-07 10 0 0 10 0 0 88.94 22.27 0.28 -0.01672 -0.01987 13 3 1 5 0 3937.704 25.28 20.00 22.27 18.40 28.6 1052.33 16377 -21852 -2989 -25137 -2741 -27086 -6483 -16573 3830 5202 -3353 -4683 -5864 -772 1888 1021 -5485 -586 -4470 1209 -2835 -4084 3109 -3117 -668 1313 4460 1165 158 -3255 -462 2884 -1132 1924 -3793 1606 -1686 720 -2087 339 -794 128 -2170 -1027 -804 -96 393 -849 996 -339 2660 1307 1181 169 1297 703 1342 -227 1617 2020 1337 798 1295 -53 277 706 665 -195 929 -273 4 -553 191 -1044 -653 33 52 1332 -243 -141 -535 -1185 -1200 -1171 -911 -474 -596 -425 -6 70 422 -44 337 798 701 1045 253 889 213 -55 7 -473 -161 318 -588 -986 -706 -732 403 3 438 124 -57 225 87 243 -196 -98 -602 -567 -987 339 202 -111 713 326 642 838 357 573 482 355 62 -9 -18 -109 104 285 -167 -143 -507 -121 -388 434 -926 -111 -1117 -92 -1103 -228 -714 151 217 -157 -235 -338 -50 139 86 -532 -58 -481 128 -322 -473 345 -389 -87 175 582 152 20 -427 -63 425 -191 330 -675 268 -309 149 -527 98 -257 44 -788 -376 -295 -35 143 -311 360 -127 1022 548 531 81 644 362 701 -121 832 1025 696 443 777 -34 185 456 409 -119 589 -193 3 -449 155 -832 -489 23 33 791 -151 -97 -415 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