File name: Pandora21s1_Bremen_20220511_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T105102.5Z 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_20220511_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: 20220511 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 20220511T074745.9Z 8166.324837 296 1 50.05 2 54.06 109.44 118.27 4.95 0.00 1 0.00 1 0 17 1.680e-02 6.329e-03 1.850e-02 4.705e-03 2.643357e-01 2.466635e-03 3.533023e-03 -6.000000e+00 1.013404e-02 230.60 -2.00 3.88 -2.00 317.84 0.00e+00 3.673881e-04 3.658655e-04 7.168678e-05 -6.000000e+00 4.025155e-04 275.58 -2.00 20.00 -2.00 317.52 0.00e+00 1.699 0.000 302.00 328.00 3 6.1036e+00 6.5694e-03 2.2994e-02 -6.0000e+00 2.5524e-02 6.0756e-02 7.3300e-03 1.5263e-02 -6.0000e+00 2.7660e-02 9.5013e-03 4.6114e-03 7.5633e-03 -6.0000e+00 1.6225e-02 -9.3120e-03 2.3146e-03 2.1607e-03 -6.0000e+00 6.7104e-03 1.5181e-04 -2.2632e-04 1.4871e-04 2.7201e-05 -6.0000e+00 5.0456e-04 -1.8642e-02 4.1034e-05 11 1 0 11 8 0 99.96 22.38 0.38 -0.01864 -0.02034 38 7 1 5 0 1316.928 25.39 20.00 22.38 24.87 29.4 1022.58 1219 4252 503 -8330 1894 1211 8606 1589 -4811 -243 468 -98 -5822 1846 -1553 -337 1142 -2501 1547 889 206 -1660 248 -1191 1723 243 -3769 1907 1378 2876 837 581 -578 3682 -1922 -2198 -4583 -190 1172 -1192 -1494 -511 1194 -770 364 -1911 380 -1282 971 -1708 821 397 -611 1855 440 1452 1062 -790 701 818 1746 905 1254 372 -494 202 68 110 861 -306 435 870 -175 458 -1158 105 -970 -251 -378 -339 -618 -1091 -1746 -1216 -574 -692 -617 358 550 239 764 229 -499 33 30 1527 775 1230 72 236 -427 -471 -180 203 -1065 -1343 -543 -173 151 113 495 446 223 231 -127 -18 -891 -186 -575 -477 -653 0 497 419 780 116 47 294 493 635 140 -323 35 480 71 192 4 18 29 5 -32 -834 -116 101 375 47 -817 156 96 658 143 -506 -26 50 -11 -745 250 -246 -58 205 -485 300 179 43 -353 53 -268 397 59 -952 439 302 607 187 140 -151 955 -512 -575 -1298 -59 425 -512 -710 -254 603 -402 188 -1009 194 -651 475 -860 419 216 -356 1108 275 922 689 -523 452 523 1129 624 926 293 -398 154 49 76 612 -242 373 783 -161 409 -991 81 -693 -168 -257 -251 -511 -995 -1719 -1254 -622 -798 -749 446 690 295 886 246 -500 31 29 1580 886 1533 97 320 -560 -577 -208 233 -1306 -1750 -735 -243 221 174 796 734 363 358 -183 -24 -1189 -252 -821 -721 -1022 0 758 621 1103 158 61 375 650 886 207 -494 54 765 119 336 7 33 54 9 -57 -1466 -197 SS 20220511T084007.7Z 8166.361200 327 1 33.00 2 46.99 122.77 116.90 18.91 0.00 1 0.00 1 0 17 1.307e-02 6.557e-03 9.654e-03 3.713e-03 2.289800e-01 1.953640e-03 3.089010e-03 -6.000000e+00 7.882891e-03 230.60 -2.00 3.88 -2.00 316.87 0.00e+00 3.532491e-04 2.283765e-04 4.651215e-05 -6.000000e+00 3.130686e-04 275.59 -2.00 20.00 -2.00 316.55 0.00e+00 1.464 0.000 302.00 328.00 3 6.2217e+00 5.1423e-03 1.9858e-02 -6.0000e+00 1.9854e-02 5.3635e-02 5.7166e-03 1.3214e-02 -6.0000e+00 2.1514e-02 9.7298e-04 3.3833e-03 6.5188e-03 -6.0000e+00 1.2621e-02 -1.9406e-03 1.6056e-03 1.8407e-03 -6.0000e+00 5.2203e-03 1.8177e-04 -1.0411e-04 1.1540e-04 2.4001e-05 -6.0000e+00 3.9237e-04 -1.9069e-02 7.2489e-05 12 9 1 12 1 1 99.96 22.41 0.33 -0.01907 -0.01985 8 3 1 5 0 3646.034 25.47 20.00 22.41 25.01 29.5 1023.32 -5362 -2742 -3882 -5010 -111 -3461 2926 -2364 2336 -2093 -2921 -2871 -1906 -603 260 1190 -882 3104 1836 1883 1085 1264 -28 -1055 1804 595 -915 108 1369 -2176 476 1040 2287 -505 -500 700 -1409 -2150 507 -544 -771 155 -508 -447 -85 -1553 -384 -1068 -599 -377 1219 601 694 725 575 1143 486 -74 1309 666 1091 1463 452 634 814 71 972 -1341 402 -813 302 496 697 375 654 427 -1487 -1012 -1452 -342 -1790 -836 -1947 -853 -639 -851 -389 364 192 255 -14 238 139 210 -289 526 1129 856 277 -124 -126 -851 -832 -141 -294 -1050 -521 -79 363 482 159 450 -280 538 -524 159 -495 -350 -330 -475 -303 46 -214 454 936 56 837 692 606 541 697 175 185 533 -43 595 -122 369 -439 -153 -705 -526 -634 -772 -419 -614 -765 -15 -452 371 -347 360 -354 -502 -503 -358 -126 60 298 -237 829 513 541 321 374 -9 -335 585 201 -314 35 417 -664 145 337 777 -181 -174 235 -509 -887 238 -295 -457 96 -324 -289 -55 -1009 -244 -665 -364 -228 748 391 473 515 421 849 368 -57 976 497 825 1158 383 564 730 61 779 -1057 321 -713 283 487 689 364 605 367 -1192 -763 -1107 -278 -1615 -812 -2024 -918 -720 -1014 -484 464 247 322 -17 267 145 210 -295 565 1308 1071 367 -167 -163 -1047 -978 -165 -361 -1364 -699 -110 518 716 245 706 -435 795 -734 210 -642 -461 -454 -687 -452 69 -315 650 1286 74 1066 866 779 729 978 253 271 797 -67 956 -202 622 -751 -260 -1176 -854 -1009 SS 20220511T084817.3Z 8166.366867 333 1 1.08 2 45.98 125.05 116.53 21.04 0.00 1 0.00 1 0 17 8.798e-03 6.350e-03 5.387e-03 3.298e-03 2.179440e-01 1.761388e-03 2.938989e-03 -6.000000e+00 5.315256e-03 230.60 -2.00 3.88 -2.00 315.38 0.00e+00 2.326370e-04 1.485836e-04 2.769156e-05 -6.000000e+00 2.109941e-04 275.59 -2.00 20.00 -2.00 315.11 0.00e+00 1.437 0.000 302.00 328.00 3 3.0533e+00 4.5688e-03 1.9152e-02 -6.0000e+00 1.3387e-02 1.6392e-02 5.0555e-03 1.2481e-02 -6.0000e+00 1.4501e-02 8.9516e-04 2.8895e-03 6.1374e-03 -6.0000e+00 8.5065e-03 -2.3044e-03 1.2735e-03 1.7207e-03 -6.0000e+00 3.5222e-03 4.6137e-03 1.3894e-03 1.0100e-04 2.4425e-05 -6.0000e+00 2.6420e-04 -2.0736e-02 3.2943e-04 12 1 1 12 1 1 96.08 22.42 0.21 -0.02074 -0.01030 3 44 1 5 0 222.760 25.47 20.00 22.42 25.44 29.6 1026.49 -1192 -3180 -293 -2859 -2174 -1753 -423 2151 317 -567 -1807 1141 145 864 36 -36 402 944 -13 -683 759 625 1765 631 921 771 271 -1227 1622 1201 743 2068 68 -452 -1361 -1494 -1104 -583 -794 -922 -1285 -1584 -59 -519 -626 -348 111 -386 105 818 378 1319 436 876 469 1119 -118 735 712 1346 1370 675 757 602 -194 20 587 -617 1044 311 -352 -682 -641 -573 -79 253 -277 280 299 -65 -458 -1283 -1415 -1418 -226 -1117 -241 -528 -284 -377 718 -211 -354 1068 911 888 761 969 -371 21 -228 -280 16 48 -484 -327 -1012 -684 -370 179 189 15 -69 282 -164 585 172 -41 197 -110 -797 92 117 283 197 354 946 1202 890 1027 331 -2 62 265 333 -41 86 -298 -434 -514 -524 -331 -403 -314 -907 -83 -800 -564 -434 -106 571 92 -172 -557 349 47 305 14 -15 170 408 -6 -312 348 287 813 301 453 389 137 -608 757 550 346 997 35 -235 -698 -755 -577 -332 -503 -640 -949 -1211 -46 -405 -489 -270 85 -292 78 604 286 1025 352 726 397 955 -103 636 612 1149 1184 606 707 581 -189 19 528 -545 932 295 -353 -706 -669 -590 -79 239 -248 240 258 -58 -443 -1316 -1513 -1561 -256 -1318 -293 -655 -354 -464 850 -239 -383 1112 959 975 882 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