File name: Pandora21s1_Bremen_20241122_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20241122T231718.1Z 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 v1.8.60 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20241122_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: 20241122 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 20241122T091912.7Z 9092.388341 351 1 12.18 2 77.24 153.21 61.68 259.46 0.00 1 0.00 1 0 25 1.778e-01 5.379e-03 9.141e-02 2.740e-03 5.984334e-01 1.413999e-03 7.482649e-03 -6.000000e+00 1.018826e-01 220.48 -2.00 3.88 -2.00 320.48 0.00e+00 1.783031e-03 4.718739e-04 4.619610e-04 -6.000000e+00 4.255591e-03 269.96 -2.00 20.00 -2.00 320.16 0.00e+00 4.410 0.002 302.00 328.00 3 1.6111e+00 4.0104e-03 5.4573e-02 -6.0000e+00 2.5066e-01 9.4851e-02 5.0364e-03 3.3252e-02 -6.0000e+00 2.7503e-01 -3.8489e-02 5.3328e-03 1.7688e-02 -6.0000e+00 1.6255e-01 3.1481e-03 2.7777e-03 5.5753e-03 -6.0000e+00 6.7357e-02 6.9123e-04 -1.2202e-03 8.1760e-05 7.2501e-05 -6.0000e+00 5.3410e-03 -3.5955e-03 0.0000e+00 12 1 1 12 1 1 99.99 22.87 0.27 -0.00360 -0.01276 69 56 1 5 0 173.892 25.90 20.00 22.87 9.49 34.7 1002.04 -75425 -49579 -38460 -57762 -57578 -96122 44039 -67196 -15193 -60284 -34548 -65596 -10024 -19873 9201 3690 -1398 464 -9242 -8778 -19813 3148 -10716 1889 -11599 -729 2394 3481 3878 -6582 -2355 -4288 2692 -5997 -2725 -940 2409 3275 -1073 510 -3580 1410 -2180 529 1703 3522 685 1048 2829 21 1966 -1162 3082 1232 1910 931 345 -436 193 1744 -545 1564 331 1595 484 609 1198 588 639 -759 667 -471 148 -1318 -230 292 -756 -494 -150 -565 -820 -1334 -1095 -824 -962 -157 -354 305 -63 518 796 560 1383 778 873 561 961 -478 -434 -64 -99 367 105 -291 -933 -609 -574 -86 -296 85 -207 -270 83 62 748 252 673 226 -553 -624 -34 -251 -438 41 312 797 975 643 -13 229 -199 210 65 26 -249 86 294 -586 -172 -384 47 318 81 -843 -482 -346 -603 -573 -1327 200 -883 -144 -886 -470 -1329 -147 -407 172 85 -38 12 -291 -287 -737 96 -401 68 -513 -30 95 134 154 -325 -132 -264 171 -423 -184 -65 186 303 -125 63 -508 202 -337 81 262 544 112 176 494 4 418 -282 779 340 549 280 105 -132 57 512 -175 513 123 632 196 241 474 249 304 -409 379 -275 83 -699 -110 127 -320 -220 -76 -337 -529 -964 -850 -678 -844 -144 -320 277 -56 463 662 440 1063 639 808 565 1099 -582 -551 -78 -118 399 109 -314 -1075 -739 -699 -113 -424 127 -335 -451 136 96 1155 380 1027 344 -893 -1029 -55 -392 -660 63 455 1114 1348 950 -21 398 -358 396 128 51 -530 190 663 -1343 -386 -829 94 642 162 SS 20241122T092600.0Z 9092.393056 355 1 0.62 2 76.80 154.78 62.68 260.85 0.00 1 0.00 1 0 25 4.722e-01 1.676e-02 3.124e-01 1.435e-02 5.689589e-01 7.361544e-03 7.254102e-03 -6.000000e+00 2.707091e-01 220.48 -2.00 3.88 -2.00 319.90 0.00e+00 2.466879e-03 2.145976e-03 3.655423e-04 -6.000000e+00 1.169326e-02 269.95 -2.00 20.00 -2.00 319.59 0.00e+00 4.271 0.002 302.00 328.00 3 1.8699e+00 2.0326e-02 5.2472e-02 -6.0000e+00 6.6576e-01 4.2144e-02 2.4325e-02 3.1445e-02 -6.0000e+00 7.3062e-01 -1.1292e-02 2.3568e-02 1.6314e-02 -6.0000e+00 4.3199e-01 1.3244e-03 1.2547e-02 4.9773e-03 -6.0000e+00 1.8081e-01 6.3866e-04 -1.3110e-03 4.2340e-04 6.3259e-05 -6.0000e+00 1.4357e-02 -5.1598e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.87 0.36 -0.00516 -0.01501 1 32 1 5 0 303.910 25.90 19.99 22.87 9.78 35.3 1004.41 -163516 900000 -81545 900000 -91173 50488 162591 -95103 283018 -59321 79112 -75095 9017 139896 133939 48227 -23849 55500 -47152 28860 -28782 124861 -14625 208838 66569 66676 26217 38283 32538 -34696 22571 -11595 28551 -1854 -6497 29332 -11 14764 1102 7456 -80 7181 -3253 9814 -6216 2546 -2823 1207 4043 -3726 11127 -1799 3816 -3244 2780 -5783 -160 -1527 -1546 4519 5281 4611 -1297 3172 1641 -1459 -950 3220 -4714 2005 1371 1066 -154 -4432 784 -4793 1412 -1402 -938 -461 -4979 1084 -940 310 -3158 1092 217 547 191 1453 605 -2083 3057 -608 2058 396 1290 9 -467 969 314 -528 1491 618 -1909 1335 -625 -508 -206 -236 -657 -1824 349 736 383 -526 2222 252 -352 -1892 -1167 -380 -1478 1048 -124 3446 1703 367 624 199 -718 -127 162 -960 603 -538 895 -98 876 -539 -365 -31 -574 -5528 900000 -1523 900000 -1720 706 2275 -2354 3960 -1250 1107 -2307 160 1958 1874 1021 -1064 1320 -2982 967 -1642 1838 -800 2922 2025 2096 1182 1532 1408 -3016 1364 -1088 2052 -178 -642 2197 -1 1687 168 1222 -15 1358 -699 1917 -1423 551 -653 278 952 -1005 2887 -567 1233 -1176 999 -2295 -61 -586 -585 1644 2016 1934 -625 1568 829 -742 -481 1653 -2816 1240 899 711 -102 -2866 454 -2702 738 -780 -574 -316 -3905 880 -817 279 -3049 1066 220 557 193 1403 560 -1884 2633 -560 2015 431 1523 11 -614 1243 383 -611 1655 706 -2309 1639 -808 -686 -294 -359 -1047 -2975 556 1135 572 -777 3256 385 -558 -3070 -1873 -594 -2279 1554 -181 4797 2380 537 973 331 -1255 -228 300 -1846 1189 -1093 1829 -203 1787 -1083 -710 -59 -1080 SS 20241122T093010.5Z 9092.395955 358 1 0.60 2 76.54 155.75 63.30 261.69 0.00 1 0.00 1 0 25 4.649e-01 1.603e-02 2.452e-01 1.347e-02 5.743048e-01 6.947873e-03 7.331096e-03 -6.000000e+00 2.698961e-01 220.48 -2.00 3.88 -2.00 319.78 0.00e+00 1.270819e-03 1.953684e-03 3.496909e-04 -6.000000e+00 1.191411e-02 269.95 -2.00 20.00 -2.00 319.47 0.00e+00 4.193 0.002 302.00 328.00 3 1.8000e+00 1.9071e-02 5.1996e-02 -6.0000e+00 6.6341e-01 8.7121e-02 2.2689e-02 3.1643e-02 -6.0000e+00 7.2902e-01 -3.3634e-02 2.1255e-02 1.6439e-02 -6.0000e+00 4.2745e-01 1.5427e-03 1.1367e-02 5.0139e-03 -6.0000e+00 1.7788e-01 7.2138e-04 -6.8962e-04 3.9747e-04 6.2312e-05 -6.0000e+00 1.4486e-02 -4.3702e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.87 0.24 -0.00437 -0.00955 1 33 1 5 0 294.908 25.90 19.99 22.87 10.07 35.3 1006.25 -63002 -42782 900000 900000 900000 -94953 900000 -85563 -13488 -25906 260634 25443 -75779 417590 -4479 65078 4902 25993 -58296 -5602 -23351 -15984 28677 -4451 20251 -9169 23407 377 -13056 -18840 -5803 13122 2125 11372 -7372 17581 -13641 3543 -7423 4222 -11407 7318 -4822 -5257 437 -4371 10078 -5637 7217 -2896 11303 3814 3281 8480 123 10054 1018 1364 -8942 4045 -2592 4281 2302 2635 -266 5285 510 -2097 625 -3606 2601 -1665 2103 -874 -654 4105 103 3440 -6 138 -714 -3586 -2906 -1524 -984 -3305 2316 -306 -27 -1374 588 -257 1668 575 1026 618 -92 1098 -1025 -381 -743 1294 136 -694 -1594 -1211 -124 -281 304 -328 396 -362 291 25 1144 1786 -1165 1065 1096 -941 -977 -237 -1068 1022 783 935 1488 622 509 -541 510 -669 44 141 467 -242 312 -803 -1526 438 -805 1357 -72 -997 -627 900000 900000 900000 -2161 900000 -2229 -204 -468 3421 368 -3267 5480 -149 1337 188 894 -4459 -280 -1389 -915 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