File name: Pandora21s1_Bremen_20220731_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T115334.5Z 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_20220731_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: 20220731 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 20220731T082155.9Z 8247.348563 228 1 49.53 2 50.44 115.09 72.87 91.81 0.00 1 0.00 1 0 17 1.015e-02 5.107e-03 7.933e-03 2.835e-03 2.278862e-01 1.503341e-03 3.059498e-03 -6.000000e+00 6.186488e-03 233.32 -2.00 3.88 -2.00 317.08 0.00e+00 1.275301e-04 1.822655e-04 4.843216e-05 -6.000000e+00 2.432749e-04 282.77 -2.00 20.00 -2.00 316.76 0.00e+00 1.567 0.000 302.00 328.00 3 5.9462e+00 3.9885e-03 2.0722e-02 -6.0000e+00 1.5686e-02 4.5701e-02 4.4245e-03 1.3338e-02 -6.0000e+00 1.6963e-02 2.1925e-03 2.6346e-03 6.5248e-03 -6.0000e+00 9.9289e-03 -3.6481e-03 1.2568e-03 1.8220e-03 -6.0000e+00 4.0843e-03 2.1817e-04 -1.1151e-04 8.8649e-05 2.3454e-05 -6.0000e+00 3.0512e-04 -1.8971e-02 7.5318e-05 10 0 0 10 0 0 99.72 22.40 0.27 -0.01897 -0.01981 14 3 1 5 0 3537.247 25.47 20.00 22.40 29.74 30.2 1029.14 495 -5706 383 -1912 374 -1117 319 -652 -1868 -4047 -2082 -1439 -1170 1958 2400 -1033 181 1776 -621 -545 -466 377 142 -609 542 78 -925 822 1048 3135 2277 -79 1376 -1304 -184 -1255 -1307 56 54 447 -1453 -287 173 83 -1057 525 -568 -1410 -802 -221 847 -573 604 791 866 881 779 96 515 609 263 1276 1155 1016 -26 767 78 -295 143 -95 -4 -87 430 125 -450 -112 -1322 -679 -635 -762 -303 -985 -1220 -666 -1008 -584 -356 67 78 -39 396 249 447 675 31 391 1153 653 278 47 -554 -191 85 196 -938 -1045 -457 -162 82 402 258 140 242 138 -477 -81 -5 79 -377 -474 -377 97 102 -206 409 365 510 913 602 359 101 38 619 191 89 69 17 20 -145 -325 -501 -297 -123 62 -826 54 -261 46 -131 38 -87 -278 -649 -330 -231 -203 371 508 -246 45 448 -165 -150 -131 105 40 -181 167 25 -299 251 301 857 643 -24 444 -444 -60 -405 -446 22 24 230 -832 -171 105 51 -660 322 -347 -846 -470 -128 501 -362 398 543 612 635 571 71 376 441 195 984 950 879 -23 641 61 -224 111 -81 -4 -84 418 120 -412 -94 -1034 -498 -469 -607 -265 -941 -1243 -707 -1128 -689 -440 86 100 -49 473 278 461 664 32 417 1327 816 368 63 -721 -233 99 228 -1157 -1360 -616 -225 118 603 403 222 379 206 -672 -108 -6 105 -523 -693 -570 146 152 -299 570 489 656 1148 780 489 144 56 916 289 141 113 29 34 -253 -564 -852 -493 -199 SS 20220731T083256.2Z 8247.356206 231 1 48.99 2 48.96 117.92 71.29 94.00 0.00 1 0.00 1 0 17 7.059e-03 5.172e-03 8.112e-04 3.423e-04 2.136660e-01 1.820032e-04 2.862328e-03 -6.000000e+00 4.300191e-03 233.32 -2.00 3.88 -2.00 316.62 0.00e+00 6.830663e-05 1.976881e-05 3.885126e-05 -6.000000e+00 1.691022e-04 282.77 -2.00 20.00 -2.00 316.30 0.00e+00 1.520 0.000 302.00 328.00 3 2.2574e+00 4.8072e-04 1.9765e-02 -6.0000e+00 1.0903e-02 -9.1790e-03 5.3206e-04 1.2454e-02 -6.0000e+00 1.1791e-02 3.9015e-03 3.1077e-04 6.0797e-03 -6.0000e+00 6.9016e-03 -3.1036e-03 1.4501e-04 1.6882e-03 -6.0000e+00 2.8390e-03 9.6142e-03 -1.7187e-04 1.0630e-05 2.1982e-05 -6.0000e+00 2.1210e-04 -1.9189e-02 5.6667e-05 10 0 0 10 0 0 99.74 22.40 0.19 -0.01919 -0.02048 667 131 1 5 0 72.563 25.47 20.00 22.40 30.57 30.2 1033.80 -1660 -2099 -2468 -2495 -1499 -599 -493 184 -18 -369 14 491 -139 -230 -240 -633 -131 -52 366 167 434 826 1025 564 457 226 -259 182 659 1194 1186 1395 837 -568 -399 -28 -516 -298 -277 -869 -996 -767 -870 -797 -635 -728 -711 -648 -422 386 523 712 806 701 578 731 710 615 757 981 1154 1184 1122 487 -69 89 211 421 849 398 -161 -290 -293 -314 -225 54 144 460 582 -56 -486 -1044 -1393 -1086 -901 -822 -511 -334 -204 -200 164 222 593 1037 995 701 836 457 -263 -451 -381 -495 164 298 -488 -553 -554 -403 -38 70 -59 -158 -177 -153 102 461 528 493 273 -255 -528 -238 -235 -51 307 399 814 1126 818 549 368 66 182 346 49 -88 -25 18 -417 -274 -295 -424 -289 -263 -363 -437 -420 -227 -85 -72 30 -3 -69 3 93 -29 -53 -62 -180 -39 -16 115 54 143 272 341 196 167 86 -99 66 222 385 391 488 313 -221 -150 -10 -201 -133 -135 -493 -625 -507 -593 -549 -436 -498 -477 -422 -267 241 336 483 578 527 417 539 532 462 561 721 865 939 957 442 -64 77 169 321 666 346 -155 -295 -302 -316 -214 47 121 359 456 -44 -434 -1034 -1490 -1142 -1004 -980 -645 -411 -252 -258 199 247 640 1053 1027 730 959 579 -337 -584 -504 -609 189 345 -605 -732 -723 -549 -54 104 -87 -239 -261 -227 139 619 689 658 363 -365 -791 -358 -347 -72 416 548 1058 1424 1070 765 508 95 264 518 77 -137 -40 30 -706 -460 -483 -672 -445 SS 20220731T084253.5Z 8247.363119 234 1 31.63 2 47.66 120.56 69.86 96.00 0.00 1 0.00 1 0 17 6.830e-03 5.180e-03 1.352e-03 6.067e-04 2.083673e-01 3.224327e-04 2.795243e-03 -6.000000e+00 4.160968e-03 233.32 -2.00 3.88 -2.00 316.46 0.00e+00 2.140492e-04 3.395194e-05 3.693959e-05 -6.000000e+00 1.636235e-04 282.77 -2.00 20.00 -2.00 316.15 0.00e+00 1.482 0.000 302.00 328.00 3 3.0715e+00 8.4988e-04 1.9276e-02 -6.0000e+00 1.0550e-02 -7.8609e-03 9.4016e-04 1.2152e-02 -6.0000e+00 1.1409e-02 4.0181e-03 5.4567e-04 5.9253e-03 -6.0000e+00 6.6781e-03 -2.8551e-03 2.5159e-04 1.6423e-03 -6.0000e+00 2.7471e-03 4.4579e-03 -1.1077e-04 1.8806e-05 2.1901e-05 -6.0000e+00 2.0522e-04 -1.9269e-02 6.6134e-05 12 1 1 12 1 1 99.98 22.40 0.16 -0.01927 -0.02010 231 71 1 5 0 135.546 25.47 20.00 22.40 31.52 30.2 1038.32 -1621 -1705 -2063 -2366 -948 -430 -206 -90 337 -701 -336 716 158 -273 141 -441 -260 -121 216 199 169 836 1044 555 355 253 -353 6 859 1171 1248 1505 778 -331 -557 -73 -685 -326 -554 -989 -1047 -896 -1062 -799 -571 -765 -634 -737 -242 327 554 622 891 650 542 781 647 611 699 954 1120 1105 998 545 -127 125 48 458 787 387 -214 -192 -234 -239 -190 14 157 357 539 -106 -412 -1060 -1435 -1128 -958 -782 -443 -410 -146 -252 164 173 620 1057 1058 671 824 419 -253 -499 -447 -505 42 380 -546 -474 -518 -383 -45 74 8 -186 -179 -91 86 489 477 501 337 -280 -517 -172 -199 -49 301 367 828 1136 781 558 279 88 181 356 79 -108 38 39 -355 -286 -313 -472 -311 -279 -319 -395 -432 -155 -66 -32 -16 64 -142 -68 145 35 -68 39 -134 -83 -39 73 69 60 294 370 205 138 95 -132 2 306 401 436 557 308 -136 -222 -28 -281 -142 -286 -595 -649 -585 -715 -543 -387 -516 -419 -473 -161 215 375 416 627 480 414 607 512 484 546 740 886 925 898 489 -115 114 41 367 648 353 -202 -192 -237 -236 -178 12 128 272 411 -88 -385 -1029 -1505 -1244 -1055 -920 -552 -531 -190 -322 196 202 654 1048 1066 731 930 522 -340 -640 -581 -612 48 432 -665 -618 -708 -516 -64 109 12 -280 -264 -133 116 643 610 655 467 -394 -764 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