File name: Pandora21s1_Bremen_20230923_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240905T005818.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 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_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20230923_L1_smca1c6d20211128p1-8.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: 20230923 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]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20230923T063706.0Z 8666.275764 91 1 49.86 2 78.18 106.18 153.74 26.76 0.00 1 0.00 1 0 25 6.355e-01 3.420e-02 3.308e-01 1.444e-02 6.117037e-01 8.053870e-03 7.808875e-03 -6.000000e+00 3.819253e-01 227.54 -2.00 3.88 -2.00 320.96 0.00e+00 1.248233e-02 2.815581e-03 5.421393e-04 -6.000000e+00 1.743067e-02 278.49 -2.00 20.00 -2.00 320.64 0.00e+00 4.727 0.002 302.00 328.00 3 4.3420e+00 2.3771e-02 5.9048e-02 -6.0000e+00 9.5811e-01 4.3424e-01 2.9090e-02 3.5811e-02 -6.0000e+00 1.0412e+00 -5.6415e-01 2.7730e-02 1.8727e-02 -6.0000e+00 6.1019e-01 2.6771e-01 1.4242e-02 5.9002e-03 -6.0000e+00 2.5631e-01 2.8795e-05 -1.8155e-03 4.5569e-04 8.6652e-05 -6.0000e+00 1.9524e-02 -1.0761e-02 0.0000e+00 12 8 8 10 0 0 98.65 22.69 0.63 -0.01076 -0.02440 13 3 1 5 0 3833.913 25.79 20.00 22.69 19.59 33.7 987.61 131211 900000 183283 73389 -27374 -48085 -222779 -84943 900000 -81143 900000 900000 54183 43380 10381 900000 8791 319765 45903 118253 98642 106083 -2447 40146 144654 376364 73043 40788 900000 53104 201001 4798 38398 65419 116493 48976 69295 50057 30542 28657 37169 371 9566 13537 34366 10536 13928 46331 33506 15844 38140 21551 29936 9696 17506 20015 4413 9668 9733 -1486 2664 7589 17326 8620 -6247 12425 20962 653 21932 12201 -700 1561 8954 1602 2314 -9448 684 -2983 8523 3732 -2404 2896 -4183 -4844 -9050 -2651 -4136 -5846 675 -1979 1243 425 4485 -5690 -3150 -3640 -2767 -1066 -2905 1891 -2128 388 -1621 315 -2023 -1969 -965 -2328 -841 -1570 527 409 1580 -15 486 -837 63 55 272 -1205 153 -102 1625 1648 3575 2383 2762 3058 858 1078 463 1564 1724 578 1182 51 -416 -765 -1001 -912 -711 74 -2359 1846 900000 2578 1032 -592 -1149 -25188 -2767 900000 -2641 900000 900000 762 752 301 900000 340 4498 1457 2009 2012 1971 -118 1314 2035 5294 1773 1303 900000 1602 2827 298 1988 2831 3134 2343 2835 2696 2256 2456 3241 49 1201 1696 3623 1420 1864 4688 3948 2300 4802 3452 4785 1997 3488 3974 1024 2116 2081 -349 613 1792 4152 2497 -2235 3733 5664 214 6209 4218 -302 697 3742 691 921 -3830 231 -1021 2791 1467 -1168 1523 -2597 -3234 -6653 -1947 -3251 -4853 533 -1573 912 293 2814 -3896 -2248 -2952 -2562 -1109 -3397 2201 -2505 413 -1607 295 -2001 -2065 -1056 -2733 -1046 -2158 782 651 2546 -24 744 -1238 91 80 419 -1973 252 -166 2510 2464 5060 3288 3675 4046 1238 1725 819 2931 3385 1201 2572 119 -999 -1873 -2462 -2205 -1642 161 -4980 SS 20230923T065130.5Z 8666.285769 97 1 25.74 2 76.12 109.21 152.72 33.03 0.00 1 0.00 1 0 25 1.232e-01 5.243e-03 7.073e-02 1.778e-03 5.711858e-01 9.557899e-04 7.245162e-03 -6.000000e+00 7.363161e-02 227.54 -2.00 3.88 -2.00 320.50 0.00e+00 1.319585e-03 3.116973e-04 4.638743e-04 -6.000000e+00 2.954148e-03 278.49 -2.00 20.00 -2.00 320.21 0.00e+00 4.073 0.001 302.00 328.00 3 1.4259e+00 2.7510e-03 5.2412e-02 -6.0000e+00 1.8412e-01 3.3665e-02 3.4488e-03 3.3495e-02 -6.0000e+00 1.9985e-01 9.0523e-03 3.6647e-03 1.8005e-02 -6.0000e+00 1.1751e-01 -1.4819e-02 1.9081e-03 5.7697e-03 -6.0000e+00 4.9023e-02 1.1528e-03 -9.8583e-04 5.5040e-05 7.1458e-05 -6.0000e+00 3.6964e-03 -1.0925e-02 0.0000e+00 12 1 1 12 1 1 99.99 22.71 0.19 -0.01093 -0.01833 222 83 1 5 0 115.402 25.79 20.00 22.71 19.67 33.5 987.48 -29534 -49971 -19633 -22775 -44338 -1221 -58114 15496 -67956 53341 -21480 -24071 -14117 -8608 -8331 -15305 -3640 -19420 6179 -17401 16221 -7624 7756 -9789 -4906 -301 -8741 1785 -5636 6732 -12397 4797 -843 938 -5074 1521 1598 -2207 1767 -4173 762 -3001 2332 -70 -1400 548 200 2023 -1246 3719 -784 1706 -661 1191 -387 261 -305 -883 456 121 3426 379 1947 648 1156 770 967 982 982 573 -666 76 -897 -263 -720 234 -118 349 909 -423 -311 -1511 -789 -1445 -584 -696 -462 -75 87 507 763 1216 778 1757 993 774 792 680 -167 -362 -162 -625 220 108 -632 -1064 -853 -641 -206 -6 -220 -187 -220 183 287 793 635 238 84 -652 -680 -478 -163 -353 276 19 956 1177 722 334 114 -21 149 272 -112 -141 -28 -2 -377 -152 17 -156 173 -196 -447 -153 -184 -390 -7 -612 96 -951 285 -241 -308 -198 -133 -160 -352 -85 -588 158 -599 416 -254 230 -375 -183 -11 -372 72 -227 266 -629 241 -52 61 -333 99 111 -175 164 -493 98 -414 323 -10 -212 83 31 314 -207 621 -149 351 -153 295 -104 73 -89 -261 131 34 959 117 661 235 445 298 384 393 398 263 -345 42 -502 -141 -362 106 -52 148 408 -208 -178 -998 -574 -1136 -460 -586 -411 -69 80 458 651 1013 613 1355 822 686 804 785 -204 -459 -198 -743 238 113 -693 -1246 -1052 -796 -274 -9 -351 -305 -366 296 462 1201 941 362 134 -1055 -1124 -777 -268 -560 419 27 1329 1624 1070 551 198 -39 292 534 -234 -312 -64 -4 -858 -354 37 -330 349 SS 20230923T070110.4Z 8666.292482 100 1 48.90 2 74.76 111.28 151.93 37.01 0.00 1 0.00 1 0 25 9.360e-02 5.089e-03 2.581e-02 9.095e-04 5.253539e-01 4.855807e-04 6.746713e-03 -6.000000e+00 5.592880e-02 227.54 -2.00 3.88 -2.00 320.25 0.00e+00 9.216789e-04 1.483246e-04 3.786944e-04 -6.000000e+00 2.243852e-03 278.49 -2.00 20.00 -2.00 319.96 0.00e+00 3.732 0.001 302.00 328.00 3 1.1097e+00 1.3775e-03 4.8074e-02 -6.0000e+00 1.3985e-01 3.4672e-02 1.6768e-03 3.0665e-02 -6.0000e+00 1.5180e-01 -3.4322e-03 1.6847e-03 1.6180e-02 -6.0000e+00 8.9253e-02 -8.4975e-03 8.8638e-04 5.0650e-03 -6.0000e+00 3.7238e-02 2.3062e-03 -9.8978e-04 2.8399e-05 6.3441e-05 -6.0000e+00 2.8076e-03 -1.1244e-02 0.0000e+00 10 0 0 10 0 0 99.97 22.71 0.19 -0.01124 -0.01868 489 96 1 5 0 99.970 25.79 20.00 22.71 19.89 33.9 991.40 -51345 -9005 -42767 172 -51918 13174 -39858 -3059 -26714 -14609 -18487 -22850 -4057 -19482 6623 -12833 9448 -6820 4077 -3222 -2081 582 -4208 5567 -6116 6191 -7629 2348 -5270 275 -2398 -1682 577 -3841 428 -4260 1239 -3172 1764 -2488 -142 -2161 -1337 -689 -1419 -215 -1812 1038 -1202 1456 214 1331 1313 1050 907 -18 1111 -397 993 6 1784 623 1816 1047 253 867 116 1338 576 1005 -290 51 -407 23 -239 18 282 -213 775 -713 -37 -1104 -1190 -1210 -1071 -852 -487 -76 -150 473 532 1164 726 1425 921 856 940 439 -87 -588 -80 -484 278 102 -666 -733 -744 -454 -265 51 -312 0 -190 210 314 683 750 272 60 -702 -730 -508 -196 -356 183 98 771 1293 655 455 248 154 89 308 -131 -299 -26 42 -361 -221 -29 -164 246 -575 -84 -557 2 -698 97 -489 -32 -370 -196 -275 -390 -68 -438 141 -391 260 -242 140 -126 -84 23 -183 236 -295 282 -408 112 -265 13 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