File name: Pandora21s1_Bremen_20230323_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T135410.7Z 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_20230323_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: 20230323 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 20230323T100146.5Z 8482.417899 208 1 2.02 2 55.31 152.37 57.23 125.15 0.00 1 0.00 1 0 17 1.162e-02 6.510e-03 6.887e-03 3.492e-03 2.571057e-01 1.831723e-03 3.490231e-03 -6.000000e+00 6.897836e-03 225.68 -2.00 3.88 -2.00 316.00 0.00e+00 -3.862142e-05 1.789182e-04 4.094918e-05 -6.000000e+00 2.787065e-04 269.27 -2.00 20.00 -2.00 315.72 0.00e+00 1.752 0.000 302.00 328.00 3 3.5185e+00 4.7260e-03 2.2664e-02 -6.0000e+00 1.7175e-02 4.0485e-02 5.2566e-03 1.4421e-02 -6.0000e+00 1.8664e-02 -9.3894e-03 3.0465e-03 7.2045e-03 -6.0000e+00 1.0989e-02 1.1968e-03 1.4048e-03 2.0735e-03 -6.0000e+00 4.6020e-03 1.9949e-03 -1.8718e-04 1.0666e-04 2.8309e-05 -6.0000e+00 3.4841e-04 -3.3818e-02 6.0441e-05 12 9 1 12 9 1 -436.16 22.30 0.11 -0.03382 -0.03522 3 21 1 5 0 459.815 25.39 20.00 22.30 18.58 31.8 1006.93 -260 -1290 -4930 -1686 -3744 2702 -4341 -1966 397 -2605 -1587 -1698 1523 -1794 1746 -3022 1462 306 1356 281 451 2275 944 1831 -603 1798 -1434 -507 222 1155 2373 1593 1900 -611 46 -2012 951 -697 -641 -834 254 -711 -946 -390 -317 -145 -798 -1017 -127 489 174 -191 1422 801 -11 105 1143 849 1114 1284 1252 851 310 705 -555 979 -683 308 -72 669 -606 -1028 735 -831 160 -221 245 21 604 -230 -382 -722 -1759 -1238 -1520 -454 -1174 -380 233 204 64 702 614 316 955 193 562 469 53 -20 -408 -745 125 335 -695 -402 -395 -356 -22 282 -128 -95 -92 -153 -59 427 317 214 357 -23 -355 -503 167 -39 267 91 491 1619 707 1042 -236 214 459 166 527 100 13 38 -154 -621 -564 -567 -529 -49 -269 -1090 -352 -740 482 -839 -405 87 -618 -378 -412 385 -514 537 -1039 509 111 500 107 175 872 369 734 -256 772 -632 -216 90 456 946 672 842 -284 21 -908 435 -353 -364 -525 170 -498 -677 -281 -229 -104 -572 -720 -88 339 123 -141 1079 630 -9 86 942 703 915 1048 1032 726 278 654 -526 896 -604 264 -63 616 -594 -1047 748 -843 156 -205 215 17 508 -204 -363 -729 -1871 -1356 -1723 -532 -1426 -470 289 250 76 796 663 331 1006 214 655 579 69 -26 -521 -916 147 394 -847 -507 -512 -473 -29 396 -185 -140 -134 -218 -81 559 408 278 477 -32 -505 -718 236 -54 361 120 629 2029 906 1381 -325 300 651 239 779 153 20 60 -245 -987 -883 -871 -799 SS 20230323T105858.9Z 8482.457626 243 1 49.83 2 52.50 169.76 50.83 140.31 0.00 1 0.00 1 0 17 1.513e-02 5.587e-03 1.237e-02 3.602e-03 2.475496e-01 1.864445e-03 3.351260e-03 -6.000000e+00 8.982058e-03 225.68 -2.00 3.88 -2.00 317.60 0.00e+00 3.111553e-04 2.634065e-04 6.243869e-05 -6.000000e+00 3.629112e-04 269.28 -2.00 20.00 -2.00 317.30 0.00e+00 1.639 0.000 302.00 328.00 3 5.6565e+00 4.9032e-03 2.1542e-02 -6.0000e+00 2.2365e-02 5.1935e-02 5.4815e-03 1.3991e-02 -6.0000e+00 2.4303e-02 6.6479e-03 3.3964e-03 7.0318e-03 -6.0000e+00 1.4310e-02 -8.6901e-03 1.6951e-03 2.0560e-03 -6.0000e+00 5.9925e-03 2.6333e-04 -1.2476e-04 1.1408e-04 2.6329e-05 -6.0000e+00 4.5366e-04 -3.3379e-02 8.8874e-05 11 1 0 11 8 0 99.99 22.32 0.20 -0.03338 -0.03432 101 20 1 5 0 493.196 25.39 20.00 22.32 19.57 32.1 1011.05 1774 -6125 3748 -6408 3264 -3861 3320 -1436 1039 3274 228 1698 -2472 6506 -744 1270 -1111 -1002 -613 292 658 603 2180 -1005 661 -2233 859 -2978 3486 529 21 2128 326 1730 -1476 213 -4128 965 -345 -1582 -645 -1132 326 -982 -333 -1918 84 -1380 -600 -723 16 1016 516 1007 295 1524 417 1295 286 877 343 942 1652 1291 756 100 361 -1232 1135 -78 -537 159 194 -169 99 397 -1142 -73 -864 -296 -507 -1124 -1342 -1424 -919 -590 406 -605 299 -334 273 425 245 727 816 985 444 1016 -56 169 -39 -462 153 40 -674 -914 -43 -294 245 -146 442 66 368 -212 -351 -85 9 221 -535 -287 -635 31 -129 103 503 -43 474 394 739 19 201 14 102 314 -62 59 129 405 -119 -59 -246 -179 -497 172 -701 405 -734 316 -377 311 -154 120 391 28 213 -348 949 -131 241 -228 -214 -135 66 151 139 502 -248 169 -610 229 -794 826 125 5 543 91 493 -423 58 -1234 312 -132 -714 -320 -597 175 -543 -183 -1069 45 -738 -313 -377 8 568 307 626 191 998 281 868 191 578 231 665 1242 1033 620 79 266 -881 814 -62 -469 146 181 -154 86 317 -839 -50 -595 -219 -418 -1024 -1317 -1473 -998 -680 490 -764 379 -418 322 464 247 692 786 1015 504 1256 -75 228 -51 -568 177 46 -817 -1179 -58 -411 355 -224 707 108 597 -330 -509 -115 12 294 -752 -427 -985 49 -197 153 713 -59 615 500 960 27 293 22 156 494 -102 102 230 736 -220 -108 -442 -311 -844 SS 20230323T114529.9Z 8482.489929 270 1 3.13 2 52.13 184.46 46.95 154.32 0.00 1 0.00 1 0 17 7.083e-03 5.190e-03 1.842e-03 9.859e-04 2.412578e-01 5.183965e-04 3.281164e-03 -6.000000e+00 4.205474e-03 225.68 -2.00 3.88 -2.00 315.84 0.00e+00 1.400974e-04 4.878177e-05 3.589585e-05 -6.000000e+00 1.699179e-04 269.28 -2.00 20.00 -2.00 315.56 0.00e+00 1.625 0.000 302.00 328.00 3 1.8612e+00 1.3354e-03 2.1135e-02 -6.0000e+00 1.0471e-02 1.9917e-02 1.4845e-03 1.3534e-02 -6.0000e+00 1.1379e-02 -6.5565e-03 8.5694e-04 6.7606e-03 -6.0000e+00 6.7000e-03 1.1588e-03 3.9131e-04 1.9446e-03 -6.0000e+00 2.8057e-03 1.2243e-02 -1.6857e-04 3.0143e-05 2.6470e-05 -6.0000e+00 2.1241e-04 -3.3375e-02 8.3377e-05 12 1 1 12 1 1 99.36 22.32 0.20 -0.03337 -0.03464 43 146 1 5 0 65.531 25.39 20.00 22.32 19.74 32.0 1011.24 -952 -2586 -1583 -2972 -784 -1980 52 -336 205 -433 -907 143 -869 320 -409 183 -291 505 562 665 871 530 1531 266 660 40 -117 -259 554 770 1204 1428 506 -23 -759 -7 -739 -126 -251 -728 -795 -840 -702 -868 -345 -585 -355 -860 -494 67 261 600 846 762 536 968 455 419 465 1024 1040 1135 997 518 7 -18 70 7 741 325 67 -104 -375 -69 -317 109 152 302 39 -302 -660 -1010 -1596 -1326 -1025 -853 -442 -425 -25 -221 205 154 580 722 1017 675 764 484 -251 -321 -260 -606 12 209 -416 -503 -497 -442 101 0 -2 -253 -144 -104 91 458 534 527 176 -5 -433 -2 -101 -24 222 209 854 973 824 523 334 -44 175 316 -18 -37 -18 112 -319 -246 -463 -460 -390 -198 -602 -375 -685 -161 -386 11 -72 49 -110 -234 37 -246 95 -138 64 -108 192 221 269 359 220 635 110 286 18 -53 -113 238 318 507 641 232 -11 -355 -3 -351 -64 -144 -467 -541 -607 -523 -629 -248 -440 -262 -622 -348 47 187 454 648 614 430 791 381 351 385 834 861 990 900 481 6 -17 61 6 655 305 67 -106 -389 -70 -316 103 135 260 33 -272 -640 -1008 -1670 -1463 -1154 -991 -543 -526 -31 -271 244 174 618 751 1067 738 890 603 -318 -414 -333 -749 14 246 -503 -630 -634 -590 135 0 -2 -370 -207 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