File name: Pandora21s1_Bremen_20220701_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T112814.6Z 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_20220701_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: 20220701 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 20220701T111740.2Z 8217.470604 357 1 48.91 2 30.07 174.95 38.22 129.01 0.00 1 0.00 1 0 17 1.111e-02 6.173e-03 8.273e-03 3.835e-03 1.921781e-01 2.041273e-03 2.546129e-03 -6.000000e+00 6.784772e-03 233.85 -2.00 3.88 -2.00 316.44 0.00e+00 6.913190e-05 2.119731e-04 3.350437e-05 -6.000000e+00 2.662863e-04 281.45 -2.00 20.00 -2.00 316.12 0.00e+00 1.155 0.000 302.00 328.00 3 6.6852e+00 5.3871e-03 1.6252e-02 -6.0000e+00 1.7226e-02 5.3566e-02 5.9631e-03 1.1131e-02 -6.0000e+00 1.8620e-02 -6.3960e-03 3.4545e-03 5.4272e-03 -6.0000e+00 1.0894e-02 1.7056e-03 1.5791e-03 1.5055e-03 -6.0000e+00 4.4767e-03 1.6609e-04 1.1810e-06 1.1907e-04 1.9738e-05 -6.0000e+00 3.3400e-04 -1.8166e-02 1.1839e-04 12 1 1 12 9 1 99.97 22.39 0.29 -0.01817 -0.01816 17 4 1 5 0 2707.233 25.47 20.00 22.39 24.80 30.2 1001.31 1603 -687 2171 -4259 -4963 -2962 -4243 -1791 690 219 -1897 -94 -1550 -1051 -1621 1551 -249 2163 2917 -636 -843 1120 368 457 1088 1141 -1101 -436 647 38 275 897 385 -265 63 615 -1993 -686 330 -677 -1250 -422 -755 -486 510 -639 -696 -769 -914 1502 125 572 930 661 592 1215 1401 -360 125 1050 1544 1048 1710 570 331 -3 -544 -588 -729 59 608 107 282 791 121 194 -380 -1691 -1558 -1193 -1010 -1519 -1409 -719 -857 151 -486 764 547 -271 -219 -75 -112 -731 -442 212 279 812 473 -182 125 -503 -209 -1 -1180 -611 -786 462 -221 340 372 604 54 -66 -162 -460 152 -587 -79 27 -218 678 363 156 857 119 503 596 -128 581 612 88 -323 61 88 57 220 402 -171 33 -555 -636 -593 287 -136 425 -842 -900 -497 -740 -335 138 46 -409 -20 -359 -270 -464 465 -79 689 948 -219 -297 387 129 166 412 444 -436 -164 226 13 94 321 146 -104 24 224 -785 -303 169 -401 -813 -285 -525 -340 353 -445 -476 -510 -591 942 81 389 662 491 452 939 1095 -287 98 811 1210 867 1494 527 308 -2 -450 -465 -592 52 577 107 286 781 115 169 -303 -1279 -1179 -968 -899 -1478 -1457 -774 -972 180 -613 986 713 -349 -268 -84 -117 -726 -443 225 321 1006 621 -242 161 -609 -240 -1 -1448 -789 -1058 638 -318 507 576 947 84 -96 -222 -594 191 -753 -105 38 -321 1000 528 221 1160 156 626 725 -160 760 834 124 -460 88 133 90 357 665 -287 55 -911 -1018 -927 SS 20220701T112622.5Z 8217.476650 363 1 49.47 2 30.00 178.95 37.26 131.79 0.00 1 0.00 1 0 25 6.477e-03 5.051e-03 5.578e-04 2.973e-04 1.734476e-01 1.592702e-04 2.328468e-03 -6.000000e+00 3.953354e-03 233.85 -2.00 3.88 -2.00 315.93 0.00e+00 8.840663e-05 1.476624e-05 2.519372e-05 -6.000000e+00 1.551697e-04 281.45 -2.00 20.00 -2.00 315.62 0.00e+00 1.154 0.000 302.00 328.00 3 2.3011e+00 4.1857e-04 1.5478e-02 -6.0000e+00 1.0037e-02 2.3315e-03 4.6264e-04 1.0104e-02 -6.0000e+00 1.0850e-02 4.7633e-03 2.6501e-04 4.9254e-03 -6.0000e+00 6.3481e-03 -3.4442e-03 1.1789e-04 1.3647e-03 -6.0000e+00 2.6083e-03 1.4117e-02 -1.4996e-05 9.2196e-06 1.8830e-05 -6.0000e+00 1.9466e-04 -1.8533e-02 6.9719e-05 10 0 0 10 0 0 99.99 22.39 0.20 -0.01853 -0.01865 1080 212 1 5 0 43.845 25.47 20.00 22.39 25.78 30.1 1005.38 -1249 -1631 -2028 -2009 -878 -454 128 546 297 -132 1 554 95 -191 -93 -376 -269 199 419 399 471 757 994 513 443 162 -210 -60 842 1154 1342 1464 801 -538 -557 -112 -598 -271 -356 -884 -995 -910 -901 -837 -623 -743 -700 -699 -304 377 538 649 830 642 556 811 738 587 689 927 1042 1156 1051 470 -107 -31 -10 313 734 344 -115 -230 -260 -252 -140 6 160 302 504 -50 -560 -1033 -1416 -1154 -993 -849 -463 -343 -209 -219 132 117 507 839 875 713 795 498 -212 -365 -296 -452 80 256 -463 -492 -486 -388 -11 99 33 -130 -145 -140 64 359 461 441 305 -115 -415 -141 -195 0 346 353 765 1018 773 514 350 33 175 280 34 -87 -9 18 -340 -227 -315 -459 -312 -283 -399 -504 -471 -184 -89 26 119 71 -33 0 140 26 -58 -31 -136 -101 76 163 160 192 307 405 217 197 74 -96 -26 337 440 516 591 343 -238 -237 -46 -262 -135 -210 -562 -696 -668 -679 -636 -471 -557 -513 -495 -208 251 367 466 626 506 451 669 618 492 570 760 872 1020 994 438 -101 -29 -8 256 615 318 -109 -232 -266 -251 -141 6 133 231 384 -42 -519 -1056 -1454 -1245 -1135 -1037 -561 -432 -265 -272 164 132 519 862 908 741 906 624 -268 -465 -384 -548 91 294 -569 -646 -627 -521 -16 145 50 -202 -220 -199 83 460 573 561 412 -157 -594 -204 -277 0 479 464 950 1228 960 676 483 44 237 388 50 -133 -15 29 -533 -353 -509 -719 -476 SS 20220701T114746.3Z 8217.491508 375 1 26.01 2 30.22 188.76 35.08 139.05 0.00 1 0.00 1 0 17 8.535e-03 5.811e-03 6.618e-03 3.448e-03 1.901176e-01 1.846339e-03 2.529459e-03 -6.000000e+00 5.208322e-03 233.85 -2.00 3.88 -2.00 315.99 0.00e+00 2.985640e-04 1.745851e-04 2.962142e-05 -6.000000e+00 2.044467e-04 281.45 -2.00 20.00 -2.00 315.69 0.00e+00 1.157 0.000 302.00 328.00 3 6.3569e+00 4.8526e-03 1.6175e-02 -6.0000e+00 1.3223e-02 4.2115e-02 5.3644e-03 1.1019e-02 -6.0000e+00 1.4295e-02 -3.0965e-03 3.0797e-03 5.3702e-03 -6.0000e+00 8.3638e-03 1.6267e-03 1.3811e-03 1.4846e-03 -6.0000e+00 3.4358e-03 2.3166e-04 -1.5681e-04 1.0685e-04 2.0042e-05 -6.0000e+00 2.5652e-04 -1.7802e-02 4.6147e-05 12 1 1 12 1 1 99.82 22.40 0.43 -0.01780 -0.01898 6 3 1 5 0 3689.448 25.47 20.00 22.40 27.30 29.8 1010.97 -64 536 693 -1458 -2080 -474 -2848 -419 -2660 613 1608 1517 -2836 685 -626 -164 -1943 330 1008 -28 1810 -60 490 247 574 285 898 -938 1624 -540 1135 2052 149 517 -403 -1079 -1443 -951 -882 113 -391 -415 -957 -729 -1205 -542 -454 -1200 -339 -244 310 1314 1078 511 466 1511 1062 638 -164 887 792 778 1372 828 948 456 -380 -111 -86 -137 -123 435 127 -275 -109 -578 -1346 -182 -879 -589 -848 -1079 -1006 -619 -1005 234 -349 301 552 8 233 313 -84 -481 3 255 295 1003 -63 -239 -305 -306 -85 -181 -659 -982 -924 -39 6 522 508 155 165 -238 260 -307 -692 -604 -196 59 -79 668 140 589 647 372 978 132 164 145 303 -431 98 198 737 143 331 478 -311 -258 -672 -581 -578 -14 122 160 -326 -427 -91 -572 -90 -637 149 387 369 -767 199 -203 -57 -712 121 379 -11 704 -24 194 102 245 125 391 -398 635 -208 436 823 64 226 -172 -451 -636 -470 -502 72 -271 -300 -711 -546 -904 -403 -332 -858 -235 -167 216 952 817 403 377 1230 877 529 -136 725 659 677 1254 791 908 418 -328 -92 -73 -126 -121 445 131 -281 -106 -529 -1142 -144 -703 -501 -786 -1077 -1059 -676 -1151 280 -437 385 711 10 284 355 -89 -490 3 275 342 1238 -82 -313 -389 -369 -99 -210 -806 -1261 -1227 -53 8 754 758 235 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