File name: Pandora21s1_Bremen_20231119_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T155715.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 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_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20231119_L1_smca1c7d20231020p1-8.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: 20231119 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: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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 20231119T085121.5Z 8723.368998 117 1 50.73 2 78.47 146.80 124.00 82.32 0.00 1 0.00 1 0 17 5.014e-01 2.910e-02 3.411e-01 2.196e-02 6.106123e-01 1.202053e-02 7.894186e-03 -6.000000e+00 2.950590e-01 220.57 -2.00 3.88 -2.00 320.69 0.00e+00 1.264052e-02 3.936442e-03 4.931756e-04 -6.000000e+00 1.316001e-02 270.39 -2.00 20.00 -2.00 320.40 0.00e+00 4.842 0.002 302.00 328.00 3 4.4878e+00 3.4296e-02 5.8797e-02 -6.0000e+00 7.2696e-01 4.5621e-01 4.1392e-02 3.4511e-02 -6.0000e+00 7.9471e-01 -3.6021e-01 3.9730e-02 1.8429e-02 -6.0000e+00 4.6852e-01 1.5139e-01 2.0919e-02 5.9706e-03 -6.0000e+00 2.0326e-01 2.1406e-05 -1.7450e-03 6.7998e-04 8.4777e-05 -6.0000e+00 1.5557e-02 4.6533e-03 0.0000e+00 12 8 8 10 0 0 99.88 22.17 0.70 0.00465 -0.00846 31 6 1 5 0 1636.190 25.28 20.00 22.17 17.95 34.1 1029.41 900000 900000 -102162 900000 -152335 87093 27904 900000 -64475 206823 -38936 24434 48947 900000 900000 -52902 116197 -72446 164283 -69951 32940 24815 291005 -21834 -28119 900000 -28016 181010 -48062 -10483 9591 168762 -20599 4528 52695 18408 70027 -15596 40940 9636 32045 32481 -5360 -1115 3482 36860 -147 64771 1113 35770 -5305 15169 19297 11395 15153 5091 18102 -11760 13947 -9594 12454 8548 13769 -5204 1497 6125 -2427 8142 -12203 3803 -3996 3180 -4843 -1862 -672 -3127 8440 -7191 9559 -11300 7570 -7933 1261 -842 -2858 -442 768 3802 -5158 3034 -3557 -960 -296 -3 4366 -997 2035 -4515 3289 -838 2846 1803 937 -5298 -1321 923 2577 49 -1453 -1030 -1151 1531 -237 -724 -831 -1205 -171 584 215 -174 8 510 1456 734 -520 970 1272 1577 -1482 2484 657 2192 -2100 2250 -1176 -148 257 -832 92 622 -779 -1324 900000 900000 900000 -3818 900000 -7599 1862 597 900000 -1602 4423 -844 523 1047 900000 900000 -3274 2485 -6202 3513 -6227 1214 964 6223 -1273 -1748 900000 -1736 3871 -3736 -669 603 3609 -2063 366 2753 1313 3543 -1868 3434 1168 3417 3622 -865 -178 547 4444 -25 6513 204 5150 -1197 3076 4014 2656 3489 1296 4069 -3397 3141 -2726 3098 2446 4176 -2020 551 2111 -905 2897 -5812 1715 -2048 1532 -2419 -841 -273 -1197 2831 -2967 3847 -6420 4086 -5463 848 -609 -2231 -355 631 3068 -4442 2297 -2675 -665 -201 -2 3404 -940 2124 -5541 3900 -1005 3037 1769 885 -5465 -1387 997 2896 61 -1998 -1554 -1864 2477 -383 -1122 -1226 -1741 -249 883 341 -282 13 778 2127 1039 -718 1275 1657 2186 -2354 4189 1210 4180 -4367 4731 -2691 -347 611 -2002 216 1388 -1662 -2697 900000 SS 20231119T090116.3Z 8723.375883 120 1 5.19 2 77.68 149.05 122.57 84.32 0.00 1 0.00 1 0 25 2.321e-01 6.273e-03 1.761e-01 4.204e-03 6.204319e-01 2.213268e-03 7.992932e-03 -6.000000e+00 1.352920e-01 220.57 -2.00 3.88 -2.00 320.31 0.00e+00 2.012469e-03 7.083648e-04 4.829681e-04 -6.000000e+00 5.586820e-03 270.39 -2.00 20.00 -2.00 320.04 0.00e+00 4.555 0.002 302.00 328.00 3 1.6359e+00 6.2314e-03 5.6825e-02 -6.0000e+00 3.3316e-01 9.4662e-02 7.8119e-03 3.5229e-02 -6.0000e+00 3.6336e-01 -4.9953e-02 8.2955e-03 1.9209e-02 -6.0000e+00 2.1460e-01 8.7064e-03 4.3628e-03 6.2627e-03 -6.0000e+00 9.1421e-02 5.6869e-04 -1.3504e-03 1.2287e-04 7.8381e-05 -6.0000e+00 6.9868e-03 3.3722e-03 0.0000e+00 12 1 1 12 1 1 99.86 22.17 0.26 0.00337 -0.00678 20 40 1 5 0 246.537 25.28 19.99 22.17 18.51 34.1 1032.07 100120 -85466 -1188 -99590 -75883 -98100 -94298 64740 -60825 -39457 -40512 64566 -43337 7133 -3987 -6286 -5124 -16522 -15616 -10415 15668 -5488 20026 -15070 -18989 -5186 -21545 16636 -23038 6619 -5967 17167 -5449 -3362 8349 3170 937 -7249 1088 -2958 3838 -3321 5851 -3418 -2297 -488 2314 1619 -341 2424 1314 2385 2706 3331 1445 81 272 873 -350 -34 3339 1160 1263 -19 791 240 1596 1026 1061 338 -505 419 710 -275 -616 248 351 272 -484 -1570 -1429 -1251 -1095 -1370 -1199 -214 -478 -903 -195 912 390 1529 193 1199 -68 1080 894 -108 -610 -13 -44 290 781 -864 -916 -709 9 -46 -1 -78 -75 -125 -67 167 600 825 318 131 -395 -165 -254 -340 -312 -144 168 371 1291 432 300 317 -268 49 -244 -68 -177 107 183 -477 -90 -212 9 328 900000 410 -1051 -7 -1395 -804 -1341 -1385 265 -810 -458 -526 385 -888 112 -86 -149 -134 -531 -532 -351 415 -185 562 -656 -856 -227 -1028 577 -1147 298 -337 900 -396 -243 530 224 78 -741 123 -403 538 -532 887 -580 -393 -84 398 292 -66 471 288 571 704 924 429 25 85 268 -107 -10 1061 421 484 -8 334 100 662 457 533 180 -290 241 394 -152 -309 113 156 129 -264 -959 -1002 -976 -870 -1160 -1080 -201 -446 -853 -188 826 332 1217 155 1016 -66 1136 1024 -139 -782 -17 -52 329 844 -980 -1053 -858 12 -60 -2 -120 -124 -204 -108 266 905 1209 477 207 -656 -279 -421 -544 -481 -214 250 531 1821 657 490 551 -485 93 -491 -139 -384 233 404 -1068 -197 -462 18 662 900000 SS 20231119T091205.5Z 8723.383397 123 1 50.22 2 76.88 151.53 121.00 86.45 0.00 1 0.00 1 0 25 2.025e-01 5.775e-03 1.047e-01 3.155e-03 5.933913e-01 1.693034e-03 7.560719e-03 -6.000000e+00 1.180911e-01 220.57 -2.00 3.88 -2.00 320.82 0.00e+00 2.289138e-03 5.997653e-04 5.608796e-04 -6.000000e+00 4.875787e-03 270.39 -2.00 20.00 -2.00 320.53 0.00e+00 4.295 0.002 302.00 328.00 3 2.2251e+00 4.9315e-03 5.4055e-02 -6.0000e+00 2.9081e-01 4.1286e-02 6.3953e-03 3.4119e-02 -6.0000e+00 3.1715e-01 1.9624e-02 7.0774e-03 1.9060e-02 -6.0000e+00 1.8731e-01 -1.7104e-02 3.6491e-03 6.4101e-03 -6.0000e+00 7.9807e-02 4.1587e-04 -1.0071e-03 9.8646e-05 8.4711e-05 -6.0000e+00 6.0972e-03 2.2792e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.16 0.10 0.00228 -0.00529 387 76 1 5 0 129.748 25.28 19.99 22.16 18.88 34.2 1033.50 -111396 -67488 -96962 -48217 -108275 -22335 -61755 20996 -26291 -50692 -22899 -52387 -19899 -10407 15493 -33472 9243 -16882 13605 8609 -4287 5610 -2844 4340 -9802 12574 -5292 8232 -2666 13028 10037 -8399 4228 486 9723 880 11118 -3368 3045 -1591 2171 -1705 -2177 723 -3387 2617 -4498 401 -2384 1081 1956 148 2340 86 388 589 47 613 3628 -1254 3369 3187 2584 175 -302 2794 -200 1996 -483 193 -941 -912 -344 -644 331 152 461 537 648 54 73 -1489 -1284 -647 -1144 -484 -1026 182 -407 426 692 1411 1403 878 849 606 1069 -365 -364 -116 -119 315 607 -403 -723 -773 -668 90 -256 -121 -342 -121 -89 284 735 592 632 -1 -624 -986 -212 -294 -175 137 345 911 1238 489 97 160 37 122 134 146 -266 9 -51 -430 -81 73 33 26 900000 -1460 -690 -1287 -423 -1483 -159 -662 129 -259 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