File name: Pandora21s1_Bremen_20230120_L2Fit_fout2c9d20211128p1-8.txt File generation date: 20250424T083021.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v9d20211128.txt Level 1 file used: Pandora21s1_Bremen_20230120_L1_smca1c9d20211128p1-8.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: 20230120 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 20230120T100843.5Z 8420.422726 144 1 49.42 2 75.60 158.96 81.53 179.90 0.00 1 0.00 1 0 25 3.611e-01 5.336e-03 1.700e-01 2.017e-03 7.560609e-01 1.102647e-03 9.362294e-03 -6.000000e+00 2.110160e-01 221.73 -2.00 3.88 -2.00 321.20 0.00e+00 3.232721e-03 4.321551e-04 8.910137e-04 -6.000000e+00 8.685076e-03 265.75 -2.00 20.00 -2.00 320.90 0.00e+00 3.938 0.001 302.00 328.00 3 1.9631e+00 3.3145e-03 5.8409e-02 -6.0000e+00 5.2087e-01 6.1492e-02 4.8835e-03 4.4609e-02 -6.0000e+00 5.6793e-01 -2.3987e-02 6.0038e-03 2.6097e-02 -6.0000e+00 3.3521e-01 -1.5531e-03 2.9697e-03 9.0441e-03 -6.0000e+00 1.4250e-01 6.1451e-04 -1.2614e-03 5.8935e-05 1.1518e-04 -6.0000e+00 1.0879e-02 -8.6395e-03 0.0000e+00 10 0 0 10 0 0 99.92 22.07 0.25 -0.00864 -0.01812 245 48 1 5 0 201.670 25.17 20.00 22.07 10.48 30.4 1018.64 900000 -213961 -58798 -132705 -151919 -61395 -173570 -26307 -73477 -100114 -119683 -32328 -81128 -39952 -35672 -20987 -52394 -41435 25615 -38530 29391 -22680 2125 -8254 -24486 -14717 -11031 -3430 -32039 -5512 -2725 19084 -295 6935 -2491 2616 -9017 -6095 -332 -361 4161 -1746 3526 -1534 -566 -1855 3124 3675 1030 6481 1619 3324 -140 3064 576 742 -745 -574 684 -632 1806 1598 1588 288 977 1137 1431 1080 2060 604 -34 292 -421 132 -636 500 234 -149 514 112 -756 -1119 -1136 -1551 -858 -1081 -140 -379 171 361 830 1128 503 1658 251 513 853 347 40 -222 -150 -184 624 -43 -848 -1325 -574 -375 -230 -12 -343 -153 -226 277 291 837 659 417 -3 -652 -827 -341 -169 -284 -13 51 991 1158 584 155 256 67 31 233 -313 -226 -8 63 -386 -187 -12 85 273 900000 -1910 -147 -653 -872 -154 -1309 -56 -265 -525 -844 -121 -585 -255 -287 -182 -682 -552 210 -595 260 -319 24 -115 -441 -258 -194 -56 -657 -102 -59 407 -8 206 -83 82 -319 -245 -15 -20 260 -120 245 -117 -44 -150 250 307 94 610 179 408 -20 464 97 131 -138 -107 124 -113 321 307 327 69 252 301 378 296 608 205 -13 118 -173 51 -230 161 70 -44 167 43 -345 -595 -676 -1001 -584 -782 -105 -296 133 274 592 753 324 1069 180 422 770 363 47 -270 -177 -198 599 -40 -805 -1338 -607 -421 -281 -17 -527 -242 -371 448 452 1306 1010 653 -5 -1062 -1355 -568 -268 -433 -20 72 1340 1575 871 264 463 133 65 518 -708 -539 -19 157 -970 -457 -27 192 584 SS 20230120T110203.4Z 8420.459761 173 1 50.98 2 73.57 171.77 82.26 191.32 0.00 1 0.00 1 0 25 3.539e-01 8.739e-03 2.139e-01 4.864e-03 6.713482e-01 2.636438e-03 8.497887e-03 -6.000000e+00 2.076866e-01 221.73 -2.00 3.88 -2.00 320.78 0.00e+00 1.164805e-03 9.348382e-04 6.289989e-04 -6.000000e+00 9.081116e-03 265.75 -2.00 20.00 -2.00 320.49 0.00e+00 3.479 0.001 302.00 328.00 3 4.2028e+00 7.6346e-03 5.1433e-02 -6.0000e+00 5.1241e-01 1.3853e-01 1.0168e-02 3.8646e-02 -6.0000e+00 5.5880e-01 -7.6579e-02 1.1630e-02 2.1696e-02 -6.0000e+00 3.2917e-01 1.9335e-02 5.9648e-03 7.2602e-03 -6.0000e+00 1.3983e-01 1.0652e-04 -1.1129e-03 1.4546e-04 9.3738e-05 -6.0000e+00 1.0659e-02 -8.1785e-03 0.0000e+00 11 8 0 10 0 0 99.91 22.08 0.12 -0.00818 -0.01654 20 4 1 5 0 2548.328 25.17 19.99 22.08 9.77 30.3 1014.24 -163362 900000 106867 8985 -157060 900000 -123506 153521 -62894 -100726 900000 -121528 7476 -70821 -15621 -15606 18945 50039 126433 16254 -22701 26451 -19948 13372 -44805 -7255 -1027 28723 -25166 11355 49435 -24344 33792 -17535 28394 -7357 4404 -3618 -2993 2896 2050 -1972 -4855 7735 -6709 10201 -531 6180 -4502 -3753 7307 168 3042 -840 3509 729 2892 -2074 2572 2166 1827 4345 -64 2595 -561 2067 -1020 3274 723 1197 779 1225 -1141 -282 1965 -950 744 -333 919 -1263 214 -581 -2286 -956 -2192 -2046 -1047 -371 897 960 1442 640 956 1374 123 -42 1443 21 693 -512 141 -1397 494 216 -956 -515 -2057 172 -639 477 -293 -554 -110 584 1032 524 564 -262 67 -967 -442 30 -364 -387 -188 772 393 1848 531 610 -215 80 542 19 368 -277 -299 154 -235 -764 -2 -95 433 -2068 900000 507 43 -2294 900000 -1408 728 -535 -1292 900000 -2241 55 -1259 -212 -250 256 570 810 281 -572 440 -517 279 -1705 -209 -29 614 -865 296 1048 -1180 1110 -1003 1073 -383 219 -224 -222 242 197 -215 -575 839 -848 1117 -66 742 -628 -555 1064 29 567 -177 758 170 682 -517 601 497 425 1057 -18 803 -193 701 -352 1104 269 498 360 597 -572 -135 851 -385 274 -122 357 -575 112 -349 -1543 -682 -1672 -1649 -876 -319 765 798 1133 475 677 970 95 -37 1409 23 840 -648 173 -1595 507 214 -987 -558 -2369 204 -823 666 -452 -913 -186 963 1628 794 838 -399 106 -1598 -734 48 -569 -585 -274 1079 534 2485 773 982 -381 151 1069 40 799 -631 -702 365 -559 -1796 -5 -201 877 SS 20230120T110732.6Z 8420.463571 176 1 48.34 2 73.46 173.11 82.42 192.48 0.00 1 0.00 1 0 25 2.271e-01 5.222e-03 3.378e-02 7.124e-04 6.690689e-01 3.805863e-04 8.481109e-03 -6.000000e+00 1.327350e-01 221.73 -2.00 3.88 -2.00 320.67 0.00e+00 1.573918e-03 1.331696e-04 6.104732e-04 -6.000000e+00 5.443447e-03 265.75 -2.00 20.00 -2.00 320.38 0.00e+00 3.458 0.001 302.00 328.00 3 7.7983e-01 1.0935e-03 5.1160e-02 -6.0000e+00 3.2765e-01 5.8386e-02 1.4498e-03 3.8449e-02 -6.0000e+00 3.5709e-01 -2.8252e-02 1.6570e-03 2.1592e-02 -6.0000e+00 2.1084e-01 -3.1882e-04 8.5194e-04 7.2251e-03 -6.0000e+00 8.8995e-02 3.4709e-03 -1.0685e-03 2.0865e-05 9.0343e-05 -6.0000e+00 6.8027e-03 -8.9518e-03 0.0000e+00 10 0 0 10 0 0 99.44 22.08 0.21 -0.00895 -0.01698 744 146 1 5 0 64.090 25.17 20.01 22.08 9.64 30.5 1014.46 -102267 -86672 -36102 -109949 -37102 -101417 -55466 -92929 -42088 -70685 -37413 -46999 -47752 -15234 -25347 -180 -21848 -2663 -14376 228 -13522 -8494 -3438 -12328 -4781 -13096 -4554 -15341 -2353 -13334 -3286 -260 -2093 -153 -4655 1868 -5993 108 -2272 -335 -2294 -626 -630 18 227 -765 1859 -1037 1699 -86 2273 1652 1368 1277 645 1564 -209 690 -307 1468 -25 1913 1518 1137 920 967 1221 678 1425 196 470 -248 -89 -294 -260 298 -314 353 -191 -77 -707 -717 -1569 -1208 -1289 -836 -396 -407 118 38 969 759 1372 1229 1040 702 752 590 -296 -272 -203 -29 277 269 -860 -1108 -824 -648 31 -163 -112 -272 21 83 432 731 739 451 -145 -548 -784 -231 -381 -251 -19 139 801 1241 715 287 221 16 177 115 -132 -333 -48 49 -406 -134 -51 20 266 -672 -586 -178 -1042 -178 -826 -335 -845 -263 -652 -269 -424 -540 -161 -345 -3 -406 -46 -305 4 -315 -192 -77 -328 -130 -413 -136 -507 -68 -457 -109 -10 -96 -8 -244 91 -339 7 -176 -31 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