File name: Pandora21s1_Bremen_20250210_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250501T022426.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 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_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20250210_L1_smca1c10d20231020p1-8.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: 20250210 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 20250210T090629.7Z 9172.379510 335 1 50.32 2 74.82 141.68 101.59 348.60 0.00 1 0.00 1 0 25 3.020e-01 1.034e-02 2.639e-01 9.280e-03 6.305705e-01 5.028199e-03 7.727326e-03 -6.000000e+00 1.758774e-01 223.17 -2.00 3.88 -2.00 320.98 0.00e+00 3.854570e-03 1.823244e-03 5.749451e-04 -6.000000e+00 8.034447e-03 265.83 -2.00 20.00 -2.00 320.63 0.00e+00 3.749 0.001 302.00 328.00 3 4.5245e+00 1.4572e-02 5.1324e-02 -6.0000e+00 4.3611e-01 9.1693e-02 1.9001e-02 3.5591e-02 -6.0000e+00 4.7821e-01 -2.8251e-02 2.1141e-02 1.9192e-02 -6.0000e+00 2.8062e-01 9.4591e-08 1.0798e-02 6.1522e-03 -6.0000e+00 1.1711e-01 6.4931e-05 -1.3863e-03 2.8786e-04 8.3556e-05 -6.0000e+00 9.3238e-03 -8.1749e-03 0.0000e+00 12 8 8 10 0 0 100.00 22.86 0.35 -0.00817 -0.01859 65 13 1 5 0 774.020 25.90 20.00 22.86 9.91 35.0 1032.13 900000 133396 88056 900000 -168120 -99804 -149472 900000 -28607 -17146 900000 900000 -50994 -46072 23118 -13785 -57594 60729 8217 16869 1701 14339 59651 -6092 51128 57738 -51294 17443 -8804 -3617 -7104 -19169 5242 12503 -23212 -30598 42311 43103 4568 17086 3250 1411 5458 -2575 -8528 3207 1489 -1117 -3194 3326 3197 -5943 1595 5315 6153 2212 -5613 -3660 -6114 -5955 5224 7242 5338 2399 5167 2252 -6 -8 191 -979 1004 2744 -1094 2531 -2453 891 -515 -640 -4285 -1140 -1449 1082 -667 -846 -603 -812 1291 -122 -155 74 1446 3035 2195 2173 -38 -84 932 -704 708 -1042 -212 -757 -239 -438 -1256 -305 -18 -505 -10 -321 -1156 -297 -640 -154 748 652 239 175 -1158 -679 534 150 -346 810 1247 -31 1105 1380 -33 411 -279 482 -25 -122 -239 80 601 152 209 159 -513 -862 -379 900000 1206 796 900000 -3207 -1084 -2703 900000 -259 -155 900000 900000 -825 -887 297 -279 -1859 789 177 352 41 318 954 -181 997 1101 -2438 466 -303 -133 -312 -1070 262 600 -1490 -2174 1821 2160 373 1423 333 156 605 -313 -1118 388 188 -150 -462 490 520 -1153 313 1075 1292 497 -1371 -867 -1457 -1430 1202 1813 1519 759 1624 717 -2 -3 73 -424 456 1246 -500 1045 -971 314 -179 -234 -1843 -554 -807 654 -440 -592 -447 -636 1030 -100 -124 57 1022 2000 1439 1510 -30 -76 958 -813 843 -1235 -231 -755 -226 -426 -1302 -329 -21 -619 -13 -473 -1850 -485 -1038 -238 1092 927 346 264 -1853 -1103 845 229 -515 1149 1697 -41 1440 1903 -52 701 -514 931 -50 -261 -541 188 1431 365 496 364 -1115 -1789 -775 SS 20250210T095903.5Z 9172.416013 364 1 50.20 2 70.63 154.28 102.44 0.21 0.00 1 0.00 1 0 25 5.602e-02 4.425e-03 1.893e-02 9.429e-04 5.078086e-01 4.854943e-04 6.490341e-03 -6.000000e+00 3.242999e-02 223.17 -2.00 3.88 -2.00 320.00 0.00e+00 1.002655e-03 1.408409e-04 3.175647e-04 -6.000000e+00 1.340467e-03 265.83 -2.00 20.00 -2.00 319.68 0.00e+00 2.981 0.001 302.00 328.00 3 2.1945e+00 1.3468e-03 4.1028e-02 -6.0000e+00 8.0251e-02 4.0151e-02 1.6065e-03 2.8444e-02 -6.0000e+00 8.7878e-02 -2.7144e-02 1.5132e-03 1.4750e-02 -6.0000e+00 5.1839e-02 1.7572e-03 8.0429e-04 4.4621e-03 -6.0000e+00 2.1373e-02 1.6507e-03 -1.2371e-03 2.8972e-05 5.7324e-05 -6.0000e+00 1.6832e-03 -7.3267e-03 0.0000e+00 10 0 0 10 0 0 99.92 22.86 0.22 -0.00733 -0.01662 310 61 1 5 0 161.898 25.90 20.00 22.86 9.97 35.4 1033.85 -29254 -18877 -15574 -17466 -16803 -15636 -23850 -9619 -17737 -15172 -14196 -15838 -9377 -6708 -4268 -4423 -2145 -2179 3446 -1175 1056 -1055 -3141 -747 -5013 -1994 -2547 549 -2766 -1897 -1595 -89 -1957 -2027 -1508 -2370 -1440 -1703 -1198 -2059 -1580 -1555 -859 76 -332 684 -18 253 562 1028 724 812 848 340 787 327 646 150 1062 951 1476 1432 862 354 414 958 393 1279 740 407 -75 -129 -73 -207 135 -27 145 268 -241 -290 -796 -1312 -1137 -1070 -874 -534 -320 51 -17 454 562 864 1201 1031 922 892 674 -173 -362 -275 -410 -54 381 -581 -786 -634 -513 -198 -162 -20 -244 -158 -74 139 479 680 354 194 -269 -665 -157 -217 -133 137 283 664 1101 704 246 213 14 147 94 11 -234 -60 145 -255 -162 -203 -29 85 -104 -421 -272 -222 -241 -237 -222 -373 -148 -328 -291 -288 -376 -255 -218 -149 -176 -91 -100 158 -59 53 -55 -177 -44 -332 -132 -168 34 -178 -132 -127 -8 -194 -204 -148 -244 -167 -239 -200 -370 -310 -322 -182 16 -72 148 -4 57 130 253 196 240 270 116 279 120 239 55 378 342 558 598 400 176 206 456 186 628 408 251 -50 -87 -48 -127 76 -13 70 134 -136 -189 -593 -1016 -942 -940 -818 -527 -328 53 -17 436 501 717 964 865 859 945 808 -216 -472 -349 -514 -62 416 -662 -956 -812 -649 -266 -236 -32 -391 -257 -117 222 717 982 520 298 -438 -1122 -262 -351 -207 204 404 906 1469 990 383 363 25 264 176 22 -491 -123 304 -544 -341 -412 -60 165 -200 SS 20250210T110538.2Z 9172.462247 395 1 50.34 2 67.65 171.26 101.32 14.93 0.00 1 0.00 1 0 25 5.230e-02 5.628e-03 3.503e-02 2.511e-03 4.471050e-01 1.283685e-03 5.768779e-03 -6.000000e+00 3.027873e-02 223.18 -2.00 3.88 -2.00 319.61 0.00e+00 1.238160e-03 3.289664e-04 2.333771e-04 -6.000000e+00 1.251524e-03 265.83 -2.00 20.00 -2.00 319.28 0.00e+00 2.608 0.000 302.00 328.00 3 4.3538e+00 3.5107e-03 3.5935e-02 -6.0000e+00 7.4928e-02 5.8184e-02 4.0830e-03 2.4861e-02 -6.0000e+00 8.2049e-02 -2.1812e-02 3.4759e-03 1.2789e-02 -6.0000e+00 4.8400e-02 8.4297e-04 1.8651e-03 3.8365e-03 -6.0000e+00 1.9955e-02 2.8780e-04 -1.1153e-03 7.8533e-05 4.8363e-05 -6.0000e+00 1.5715e-03 -7.3936e-03 0.0000e+00 10 0 0 10 0 0 99.95 22.87 0.20 -0.00739 -0.01577 43 8 1 5 0 1170.413 25.90 19.99 22.87 9.67 35.1 1030.53 14782 -20812 -3834 -4896 -30328 -3299 -16618 7540 -19674 14102 -22924 -5381 -8110 -9016 -1590 -7857 513 -7592 7811 -6579 6896 -900 -2401 -2427 -3182 -604 -3835 3718 -1408 2800 -4897 1844 -2240 -2610 183 -559 -3798 -2229 -757 -3097 -742 -2327 -1120 -1678 -212 315 -2100 314 -326 1839 1085 2472 220 1687 1558 795 327 852 1828 983 2411 190 1976 446 868 225 10 1306 476 847 -311 335 -431 674 51 -738 191 170 243 225 -53 -1726 -1383 -1331 -202 -808 -100 -509 -192 572 672 42 741 1516 232 965 532 -245 -540 -494 -204 -141 687 -935 -882 -843 -568 -260 -5 26 -440 -11 -182 327 276 817 172 232 -241 -417 -348 -56 41 260 286 1034 1389 729 398 313 -124 306 -5 84 -314 48 88 -86 -216 -217 -190 -265 -67 243 -513 -82 -101 -743 -64 -397 162 -588 326 -779 -175 -320 -428 -82 -479 31 -533 499 -499 467 -67 -190 -206 -288 -55 -353 309 -122 249 -528 209 -285 -335 22 -71 -567 -389 -155 -735 -187 -624 -306 -466 -59 87 -596 88 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