File name: Pandora21s1_Bremen_20230305_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T134313.9Z 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_20230305_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: 20230305 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 20230305T081346.1Z 8464.342894 305 1 50.36 2 72.92 126.46 104.13 331.71 0.00 1 0.00 1 0 25 1.594e-01 6.374e-03 2.042e-01 4.238e-03 6.067711e-01 2.276137e-03 7.694642e-03 -6.000000e+00 9.416516e-02 224.47 -2.00 3.88 -2.00 320.62 0.00e+00 2.423547e-03 7.686012e-04 5.203876e-04 -6.000000e+00 3.823119e-03 267.44 -2.00 20.00 -2.00 320.33 0.00e+00 3.355 0.001 302.00 328.00 3 4.0861e+00 6.5481e-03 4.8274e-02 -6.0000e+00 2.3383e-01 7.8055e-02 8.3720e-03 3.5069e-02 -6.0000e+00 2.5436e-01 -1.1518e-02 9.1267e-03 1.9202e-02 -6.0000e+00 1.4990e-01 -9.1341e-03 4.7314e-03 6.2705e-03 -6.0000e+00 6.2891e-02 1.4603e-04 -9.6631e-04 1.2952e-04 8.0374e-05 -6.0000e+00 4.7796e-03 -3.0356e-02 2.0665e-05 10 0 0 10 0 0 99.92 22.16 0.13 -0.03036 -0.03762 51 10 1 5 0 987.156 25.28 20.00 22.16 8.71 31.0 1012.11 -48066 -35033 59603 -52051 26421 -89292 27879 -45530 -42487 9592 1180 17113 -76008 -4539 -9456 19874 -39332 -4820 -24431 11590 9685 3936 -10920 -26731 3828 -8583 10349 -10317 -10308 4393 -6870 3135 -2005 -856 -26995 3172 -6684 -3647 -3079 -3218 -4758 244 739 1864 1534 -3495 -888 -752 -283 6580 3095 596 6052 2621 190 3419 1067 -345 -1721 2192 1855 4757 13 1500 1341 886 970 893 871 811 -471 -205 137 -668 17 -394 -637 63 -851 677 457 -976 -1510 -1562 -640 -1315 -413 -1029 -591 -312 802 1995 1638 1716 1066 942 146 634 -675 203 -540 168 -188 582 -1209 -932 -231 -451 -130 -191 183 -262 588 78 322 459 11 716 -532 -341 -1023 -201 -298 214 -55 419 159 1255 404 222 195 218 176 -141 64 -352 -55 528 -340 -231 35 -84 -69 -324 -247 246 -462 116 -1017 125 -419 -424 67 9 132 -1504 -61 -160 309 -1135 -114 -736 271 239 104 -337 -1009 119 -315 331 -393 -390 153 -297 144 -110 -51 -2035 181 -441 -269 -270 -335 -571 30 97 250 210 -513 -130 -113 -44 1013 535 117 1235 598 47 862 284 -94 -467 563 486 1298 4 522 500 334 358 333 347 362 -235 -108 73 -345 8 -173 -258 25 -359 322 252 -618 -1059 -1171 -503 -1104 -361 -936 -539 -277 671 1547 1210 1257 838 831 148 717 -843 260 -674 193 -199 591 -1292 -1050 -271 -559 -172 -275 286 -436 992 129 510 694 17 1078 -844 -562 -1722 -331 -474 328 -81 597 220 1714 592 359 343 409 344 -290 138 -798 -128 1243 -810 -541 79 -179 -142 SS 20230305T083638.9Z 8464.358783 314 1 1.36 2 70.25 131.75 105.63 336.88 0.00 1 0.00 1 0 25 2.299e-01 1.098e-02 1.979e-01 9.888e-03 5.402164e-01 5.154181e-03 7.050618e-03 -6.000000e+00 1.358498e-01 224.47 -2.00 3.88 -2.00 319.09 0.00e+00 2.408420e-03 1.177095e-03 2.696264e-04 -6.000000e+00 5.597142e-03 267.44 -2.00 20.00 -2.00 318.82 0.00e+00 2.927 0.001 302.00 328.00 3 3.1178e+00 1.3921e-02 4.2228e-02 -6.0000e+00 3.3733e-01 7.7550e-02 1.5995e-02 3.0339e-02 -6.0000e+00 3.6689e-01 -3.6564e-02 1.3356e-02 1.5671e-02 -6.0000e+00 2.1632e-01 9.7870e-03 7.2674e-03 4.7532e-03 -6.0000e+00 9.1082e-02 6.2383e-04 -7.7876e-04 2.8822e-04 5.6435e-05 -6.0000e+00 6.9575e-03 -3.2914e-02 5.6009e-05 12 9 9 12 1 1 999.00 22.16 0.25 -0.03291 -0.03877 1 17 1 5 0 589.922 25.28 20.00 22.16 9.57 30.9 1016.18 45223 155436 -31696 900000 -98580 123060 -56063 48101 21568 38298 -32015 -51188 37705 -47902 21841 -11086 -12889 -19836 43250 13464 -10736 11608 16284 2561 -3152 10289 -12638 6873 -1957 3000 -3186 7054 -2835 2872 10893 -3988 -1253 -1364 1766 3178 2487 -2057 -5323 659 -2567 2807 1799 942 1676 2143 3667 -1127 2549 -798 602 -272 2863 2227 526 -3501 -994 5425 500 -733 1799 1686 -2068 978 666 -149 -2597 290 315 -2340 1569 1285 -558 -392 1279 1998 -451 -1291 -2437 -1322 -1370 -362 -652 -1210 174 -491 609 661 1771 1526 1216 718 1168 535 125 -885 -28 -371 -161 209 -563 -174 -2404 -781 548 535 -29 -405 18 44 317 422 1261 -449 920 -695 -378 -74 -888 563 824 188 -36 1649 -594 570 517 -450 -472 150 184 -407 181 147 271 -87 -667 350 -530 438 1499 -766 900000 -4102 1186 -1610 604 381 631 -1038 -2141 838 -2782 824 -656 -867 -1547 2058 880 -900 807 1114 210 -291 887 -1366 617 -187 282 -350 811 -401 415 1469 -606 -195 -242 358 741 652 -600 -1668 202 -819 869 569 304 551 729 1309 -452 1066 -363 284 -133 1401 1100 260 -1764 -497 2721 281 -448 1129 1057 -1304 602 429 -104 -1995 228 249 -1843 1146 880 -364 -249 833 1416 -360 -1130 -2293 -1291 -1390 -380 -711 -1354 194 -542 645 669 1708 1456 1207 769 1353 672 166 -1208 -37 -471 -194 245 -681 -218 -3148 -1047 760 781 -45 -649 29 70 487 627 1835 -668 1396 -1095 -602 -117 -1379 849 1211 271 -51 2289 -866 876 838 -760 -819 267 337 -772 349 286 530 -168 -1267 641 -951 SS 20230305T084341.3Z 8464.363672 318 1 47.53 2 69.47 133.42 106.04 338.49 0.00 1 0.00 1 0 25 4.455e-02 4.863e-03 7.242e-03 3.346e-04 5.167776e-01 1.754762e-04 6.692727e-03 -6.000000e+00 2.632576e-02 224.47 -2.00 3.88 -2.00 319.80 0.00e+00 9.696586e-04 4.824931e-05 3.199201e-04 -6.000000e+00 1.068564e-03 267.44 -2.00 20.00 -2.00 319.53 0.00e+00 2.823 0.000 302.00 328.00 3 2.4829e-01 4.8605e-04 4.0685e-02 -6.0000e+00 6.5371e-02 3.5858e-02 5.7604e-04 2.9328e-02 -6.0000e+00 7.1099e-02 -9.7670e-03 5.4075e-04 1.5491e-02 -6.0000e+00 4.1901e-02 -5.8267e-03 2.9026e-04 4.8510e-03 -6.0000e+00 1.7588e-02 1.2828e-02 -4.6978e-04 1.0230e-05 5.9275e-05 -6.0000e+00 1.3354e-03 -3.2068e-02 1.0407e-04 10 0 0 10 0 0 86.54 22.15 0.24 -0.03207 -0.03560 1902 373 1 5 0 23.067 25.28 19.99 22.15 10.18 31.7 1022.33 -16577 -16947 -13441 -15032 -11656 -17805 -14871 -12960 -12809 -10411 -12902 -11430 -10090 -7230 -4388 -2449 -3156 -2105 -1736 -1262 -1028 -1360 -915 -2421 -2425 -3165 -2849 -3411 -1542 -1615 -1062 -168 69 -1276 -1966 -1258 -2088 -1380 -2002 -1753 -2130 -1704 -1173 -1094 -395 -547 -363 -545 -96 681 691 600 910 960 658 791 653 455 579 954 1085 1455 1400 914 464 736 769 739 943 381 64 -147 -165 -43 61 457 463 477 422 -96 -419 -988 -1473 -1174 -1116 -902 -493 -291 20 101 605 804 1118 1215 1125 676 798 468 -289 -396 -301 -391 256 243 -714 -797 -728 -555 -92 -67 -113 -235 -131 -7 272 650 653 395 43 -516 -712 -327 -337 -222 98 146 756 1213 741 413 299 51 175 261 -40 -186 -37 55 -393 -201 -176 -122 93 -192 -231 -191 -216 -152 -239 -204 -196 -219 -190 -235 -224 -230 -197 -142 -92 -134 -97 -79 -60 -51 -68 -47 -136 -148 -206 -189 -224 -97 -104 -75 -14 6 -128 -198 -124 -220 -167 -295 -307 -427 -370 -266 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