File name: Pandora21s1_Bremen_20210121_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T061611.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 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_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20210121_L1_smca1c1d20201116p1-8.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: 20210121 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]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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 20210121T091700.5Z 7691.386811 128 1 48.93 2 78.86 146.84 102.84 53.47 0.00 1 0.00 1 0 25 2.855e-01 4.058e-03 6.442e-02 1.170e-03 6.757911e-01 6.310046e-04 8.382174e-03 -6.000000e+00 1.662075e-01 221.80 -2.00 3.88 -2.00 321.12 0.00e+00 2.186516e-03 2.447823e-04 7.507701e-04 -6.000000e+00 6.839740e-03 265.75 -2.00 20.00 -2.00 320.81 0.00e+00 4.999 0.003 302.00 328.00 3 2.1528e-01 1.9034e-03 6.2574e-02 -6.0000e+00 4.1024e-01 8.3862e-02 2.6525e-03 3.9506e-02 -6.0000e+00 4.4781e-01 -4.3431e-02 3.1420e-03 2.2419e-02 -6.0000e+00 2.6440e-01 5.1168e-03 1.5735e-03 7.6056e-03 -6.0000e+00 1.1094e-01 1.4956e-03 -8.3151e-04 3.5618e-05 1.0366e-04 -6.0000e+00 8.5607e-03 2.0713e-03 5.0391e-06 10 0 0 10 0 0 99.96 22.25 0.23 0.00207 -0.00418 630 124 1 5 0 76.796 25.28 20.00 22.25 13.76 22.4 997.37 -118505 -86413 -73552 -108678 -83483 -111733 -72878 -123923 -77227 -88148 -73246 -92165 -26102 -19116 -7834 -14565 -22395 -16721 -11938 -3842 -13050 -13232 -14716 -9497 -8169 -17649 -9741 -17704 -13572 -15795 -9989 -3403 -5522 2375 -4106 -622 -2809 -55 -5378 1074 -736 405 413 230 1328 1930 1436 515 2247 761 1771 1339 1658 1341 567 1877 468 912 881 1773 1860 1479 1465 1215 569 1238 479 323 977 694 354 -601 88 89 -377 316 -501 22 -386 -27 -609 -940 -1502 -1360 -1158 -999 -417 -198 358 477 949 688 874 722 643 517 796 455 -173 -60 -230 -82 432 109 -962 -659 -564 -488 79 -36 -67 -197 -105 -101 230 535 377 260 -42 -463 -417 150 -108 -72 47 75 658 673 307 43 -29 25 10 147 -102 -147 137 45 -277 -57 -69 -12 117 -676 -424 -344 -719 -410 -727 -349 -1029 -502 -704 -552 -889 -182 -161 -75 -165 -316 -250 -186 -59 -226 -235 -279 -187 -174 -440 -229 -448 -334 -397 -280 -108 -207 89 -164 -24 -122 -3 -322 72 -57 34 37 21 124 183 141 53 242 90 230 196 268 238 108 371 90 188 178 350 378 330 344 321 161 350 136 95 313 254 143 -258 37 36 -141 106 -158 7 -136 -11 -295 -524 -931 -903 -817 -747 -326 -160 287 369 688 469 573 485 477 442 786 480 -201 -70 -259 -84 432 107 -1000 -676 -611 -565 99 -51 -104 -329 -178 -168 362 804 562 401 -68 -784 -707 245 -170 -109 68 105 895 935 472 74 -52 48 21 319 -237 -359 324 109 -668 -141 -162 -28 247 SS 20210121T092226.9Z 7691.390589 131 1 37.83 2 78.42 148.07 102.18 54.61 0.00 1 0.00 1 0 25 3.196e-01 5.862e-03 1.718e-01 2.976e-03 6.593001e-01 1.617193e-03 8.110381e-03 -6.000000e+00 1.861264e-01 221.80 -2.00 3.88 -2.00 321.18 0.00e+00 2.411877e-03 6.260741e-04 7.414046e-04 -6.000000e+00 7.693241e-03 265.75 -2.00 20.00 -2.00 320.86 0.00e+00 4.824 0.002 302.00 328.00 3 1.4295e+00 4.8543e-03 6.0543e-02 -6.0000e+00 4.5940e-01 1.1447e-02 6.7302e-03 3.8361e-02 -6.0000e+00 5.0162e-01 4.2442e-02 7.9387e-03 2.1861e-02 -6.0000e+00 2.9610e-01 -2.5125e-02 3.9791e-03 7.4692e-03 -6.0000e+00 1.2520e-01 5.3696e-04 -5.4573e-04 9.2618e-05 1.0025e-04 -6.0000e+00 9.6352e-03 1.5198e-03 5.6355e-05 12 1 1 12 1 1 100.00 22.25 0.13 0.00152 -0.00258 462 118 1 5 0 80.119 25.28 20.00 22.25 14.12 22.5 1000.22 900000 -190811 -68545 -139461 -127879 -56003 -63309 -14337 -46746 -54930 -142632 39318 -51809 7764 -38455 109559 44586 -38742 25779 -19779 2196 -22785 -5148 -25525 21564 12157 -9899 26342 -20174 36552 -21489 11233 1658 9576 -2500 16341 2806 5833 9058 -6348 10726 -3185 5902 -2537 2757 3190 245 2146 3359 636 1728 4153 708 2977 983 1557 -1049 961 1635 62 3103 -8 2511 -1267 78 1654 1299 78 352 457 -1056 -64 -1285 75 -1126 1477 347 1277 1040 -1169 365 -1206 -666 -1724 -373 -1686 -395 -617 244 542 558 959 732 1511 797 580 1136 225 -284 38 52 -116 626 -270 -827 -786 -145 -768 123 -440 -382 -104 -222 58 -31 645 723 556 -110 -162 -667 -120 -90 -123 90 37 1088 859 367 91 101 -35 18 67 -218 -117 16 152 -336 -51 -142 -26 253 900000 -2584 -358 -1309 -1090 -249 -331 -56 -271 -383 -2184 147 -536 62 -545 522 412 -781 334 -387 38 -491 -98 -622 400 251 -248 510 -568 707 -754 343 62 374 -105 605 125 286 528 -476 774 -289 519 -242 255 303 25 221 362 76 219 578 113 507 176 292 -208 188 311 12 595 -2 600 -341 22 463 376 23 113 166 -430 -27 -551 30 -422 489 112 413 359 -483 174 -669 -392 -1100 -250 -1219 -296 -479 188 403 391 627 477 998 564 472 1064 242 -325 44 59 -121 594 -253 -818 -824 -160 -909 152 -609 -585 -170 -367 93 -48 941 1044 831 -173 -267 -1104 -193 -138 -182 128 53 1480 1196 547 153 187 -70 36 144 -502 -283 40 384 -857 -126 -332 -57 551 SS 20210121T093113.9Z 7691.396688 134 1 47.74 2 77.74 150.06 101.10 56.44 0.00 1 0.00 1 0 25 1.791e-01 3.836e-03 4.357e-02 9.175e-04 6.319399e-01 4.917584e-04 7.887075e-03 -6.000000e+00 1.042791e-01 221.80 -2.00 3.88 -2.00 320.89 0.00e+00 1.891477e-03 1.789827e-04 6.311506e-04 -6.000000e+00 4.290952e-03 265.75 -2.00 20.00 -2.00 320.59 0.00e+00 4.576 0.002 302.00 328.00 3 1.7380e-01 1.4402e-03 5.7586e-02 -6.0000e+00 2.5739e-01 7.2847e-02 1.9238e-03 3.6524e-02 -6.0000e+00 2.8095e-01 -2.6581e-02 2.2126e-03 2.0510e-02 -6.0000e+00 1.6588e-01 -1.9868e-03 1.1286e-03 6.8906e-03 -6.0000e+00 6.9611e-02 2.4126e-03 -7.4791e-04 2.8039e-05 8.9918e-05 -6.0000e+00 5.3705e-03 1.8531e-03 1.9600e-05 10 0 0 10 0 0 99.97 22.25 0.21 0.00185 -0.00377 925 181 1 5 0 51.323 25.28 20.00 22.25 14.77 22.5 1003.32 -78823 -62563 -49123 -46891 -63761 -45942 -86963 -76757 -34389 -47748 -30629 -42916 -26530 -25373 -19564 -11819 -18355 -6004 -8297 3347 -7314 -674 -11086 -1216 -10112 -9438 -10065 -7505 -5517 -5774 -1652 -979 1421 -1957 -3061 -1594 -2873 -3248 -2263 -349 -2297 -1841 -1218 -333 441 -58 305 716 989 895 1769 1296 1475 1366 1417 587 200 172 164 1203 1446 1815 1699 1044 323 504 215 591 948 309 215 156 216 42 153 -224 -51 -540 -167 -559 -699 -1233 -1512 -1229 -1126 -598 -406 -63 387 434 901 691 988 741 620 475 789 316 -164 -265 -126 -237 610 314 -845 -600 -586 -239 -56 -30 -102 -210 -116 -82 198 527 564 312 -73 -379 -423 -57 -170 -79 -88 80 646 901 279 98 8 -70 67 141 -144 -122 182 21 -270 -103 -53 -6 119 -494 -392 -290 -269 -411 -247 -693 -631 -231 -402 -236 -391 -257 -312 -285 -191 -333 -107 -165 63 -158 -14 -266 -29 -286 -282 -308 -222 -160 -181 -58 -38 62 -94 -148 -77 -153 -205 -173 -31 -221 -192 -133 -37 50 -7 36 88 127 123 266 219 274 276 305 134 47 41 38 272 335 457 482 333 110 171 72 204 355 132 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