File name: Pandora21s1_Bremen_20211018_L2Fit_fout2c12d20201116p1-8.txt File generation date: 20250430T210853.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 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_v12d20201116.txt Level 1 file used: Pandora21s1_Bremen_20211018_L1_smca1c12d20201116p1-8.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: 20211018 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 20211018T111045.7Z 7961.465807 347 1 50.57 2 62.87 180.24 128.57 27.34 0.00 1 0.00 1 0 17 2.578e-02 7.381e-03 2.276e-02 5.424e-03 2.779142e-01 2.775970e-03 3.742729e-03 -6.000000e+00 1.514072e-02 223.91 -2.00 3.88 -2.00 318.01 0.00e+00 5.345790e-04 4.406259e-04 8.075047e-05 -6.000000e+00 6.173971e-04 274.93 -2.00 20.00 -2.00 317.70 0.00e+00 2.181 0.000 302.00 328.00 3 6.0781e+00 7.3223e-03 2.6628e-02 -6.0000e+00 3.7546e-02 9.6194e-02 8.2284e-03 1.5599e-02 -6.0000e+00 4.0909e-02 -9.0160e-03 5.3098e-03 7.8704e-03 -6.0000e+00 2.4118e-02 -4.2885e-03 2.7208e-03 2.3213e-03 -6.0000e+00 1.0090e-02 9.7083e-05 -4.6822e-04 1.7195e-04 2.9587e-05 -6.0000e+00 7.7302e-04 -5.1415e-03 6.4288e-05 11 9 0 11 8 0 99.86 22.13 0.36 -0.00514 -0.00866 15 3 1 5 0 3365.129 25.28 20.00 22.13 22.46 27.6 1042.08 -5857 -5582 -5143 6777 -8440 -6889 1971 -7096 -6931 -1077 -1915 -4550 10226 3084 13006 -438 -3865 2412 1660 594 2931 2224 -837 1585 2507 2637 823 -3923 712 -868 3673 5396 -1697 -2446 1548 -3419 -2721 -26 -2382 -1668 -678 -2827 -3033 824 301 -1915 1588 948 -1457 -1699 -605 14 1465 484 2278 672 1277 670 -1398 940 1333 1536 2088 -360 948 243 354 495 366 -693 -524 101 366 568 476 -302 1085 -305 -799 -855 -1268 -183 -1478 -290 -1598 -48 139 465 977 332 856 35 496 -343 850 412 489 371 -395 -439 -493 -1506 -839 498 -1427 -1101 -794 -605 137 532 297 192 456 -494 3 -98 653 264 -481 -149 -359 80 261 674 -228 199 133 1393 480 -273 210 -192 834 176 540 351 346 -243 6 -66 -762 -464 -440 -472 -491 -462 519 -687 -530 145 -630 -676 -105 -190 -481 1038 383 1673 -71 -682 418 302 113 555 425 -168 325 538 586 186 -888 146 -178 756 1182 -428 -641 378 -862 -726 -8 -861 -692 -306 -1376 -1525 405 149 -966 767 451 -701 -826 -303 8 812 285 1361 417 802 423 -888 581 839 1023 1490 -278 733 181 246 334 258 -544 -447 90 327 493 390 -228 739 -200 -539 -632 -1049 -164 -1441 -294 -1732 -54 166 572 1201 401 971 37 484 -325 820 432 563 468 -532 -595 -642 -1847 -968 570 -1755 -1429 -1073 -850 200 816 479 317 739 -769 4 -134 867 360 -695 -226 -563 125 399 995 -326 272 174 1780 643 -392 315 -299 1314 287 916 624 635 -457 10 -123 -1398 -821 -760 SS 20211018T111627.7Z 7961.469765 350 1 50.59 2 62.89 181.82 128.16 29.00 0.00 1 0.00 1 0 25 1.944e-02 6.353e-03 1.449e-02 3.604e-03 2.787715e-01 1.844520e-03 3.787185e-03 -6.000000e+00 1.141643e-02 223.91 -2.00 3.88 -2.00 317.89 0.00e+00 4.830093e-04 2.850040e-04 7.770536e-05 -6.000000e+00 4.658473e-04 274.92 -2.00 20.00 -2.00 317.58 0.00e+00 2.182 0.000 302.00 328.00 3 5.6876e+00 4.8605e-03 2.6703e-02 -6.0000e+00 2.8309e-02 8.1124e-02 5.4552e-03 1.5718e-02 -6.0000e+00 3.0851e-02 -1.6362e-02 3.4809e-03 7.9251e-03 -6.0000e+00 1.8188e-02 9.1919e-04 1.7750e-03 2.3281e-03 -6.0000e+00 7.6048e-03 1.4446e-04 -7.9532e-04 1.1387e-04 3.0071e-05 -6.0000e+00 5.8329e-04 -4.4019e-03 -6.1418e-05 10 0 0 10 0 0 99.90 22.13 0.24 -0.00440 -0.01038 13 3 1 5 0 3891.008 25.28 20.00 22.13 22.65 27.6 1042.23 -8597 3092 -8916 -5423 3309 -2239 -4249 -3947 -2522 7104 2322 -6694 -4281 642 -1004 706 -4144 1383 -1206 -231 -666 2508 2414 1115 264 2945 -1764 -335 360 3855 2634 -1701 2827 -1863 260 -1199 -1813 -1419 -108 -1107 -1042 521 -1357 -1924 -314 -546 -182 -1075 60 373 483 231 1991 707 1204 1372 1006 325 -51 1202 2036 720 497 241 397 487 -31 -13 745 597 1276 -408 -17 -392 -548 789 -504 462 428 -884 104 -1605 -1677 -1400 -1498 -491 -524 -4 306 -264 445 191 767 993 745 14 1252 247 92 -498 25 -944 191 517 -971 -496 -959 -456 -174 536 248 -86 -101 -358 556 148 -367 -264 -368 -222 -427 -57 218 316 132 583 641 1182 291 741 934 272 252 208 47 75 286 -177 -254 -109 -399 -558 -543 -746 262 -868 -486 251 -172 -347 -356 -247 668 231 -756 -524 86 -155 118 -767 253 -236 -46 -136 499 490 240 60 680 -425 -76 78 790 572 -416 712 -505 67 -308 -501 -449 -40 -474 -488 253 -692 -999 -161 -280 -92 -537 29 183 247 126 1130 426 745 868 648 210 -33 760 1306 495 368 189 314 367 -22 -9 536 473 1088 -370 -15 -348 -460 602 -356 309 293 -671 87 -1486 -1658 -1449 -1635 -562 -630 -5 379 -320 509 203 757 944 732 15 1444 313 124 -674 33 -1155 221 597 -1197 -643 -1297 -638 -254 817 396 -140 -163 -552 798 202 -494 -362 -530 -337 -666 -89 332 467 188 795 841 1526 392 1056 1393 421 397 336 79 131 517 -326 -472 -201 -717 -977 -928 SS 20211018T112154.3Z 7961.473546 353 1 6.47 2 62.93 183.33 127.75 30.57 0.00 1 0.00 1 0 17 1.672e-02 7.034e-03 1.282e-02 4.515e-03 2.680537e-01 2.323385e-03 3.640595e-03 -6.000000e+00 9.818829e-03 223.91 -2.00 3.88 -2.00 316.98 0.00e+00 4.005297e-04 2.873947e-04 5.928162e-05 -6.000000e+00 4.006241e-04 274.92 -2.00 20.00 -2.00 316.68 0.00e+00 2.185 0.000 302.00 328.00 3 4.6626e+00 6.0462e-03 2.6313e-02 -6.0000e+00 2.4347e-02 2.4018e-02 6.7574e-03 1.5040e-02 -6.0000e+00 2.6533e-02 9.9877e-04 4.0665e-03 7.5471e-03 -6.0000e+00 1.5642e-02 -3.5582e-03 1.9866e-03 2.1955e-03 -6.0000e+00 6.5411e-03 4.1837e-04 -7.4142e-04 1.3988e-04 2.8684e-05 -6.0000e+00 5.0162e-04 -5.0570e-03 -6.1651e-05 12 9 1 12 1 1 93.71 22.13 0.19 -0.00506 -0.01063 3 6 1 5 0 1569.344 25.28 20.00 22.13 22.75 27.4 1042.03 662 -2034 -3041 -8919 3926 -7686 -1139 2153 1192 976 -4967 4905 -1983 -1723 -2244 -1414 -2337 1904 707 2197 -1212 3865 3858 55 -565 -572 -1832 14 85 1509 3240 4169 333 -98 -1298 2164 -656 702 -328 -851 -832 -1465 -167 -1700 -206 -398 -611 -1424 -1371 70 309 -77 611 754 987 1290 -5 1281 -11 1941 1308 -328 1410 598 116 -698 477 112 657 327 662 351 -425 721 110 -501 -501 609 183 -221 -988 -1070 -2148 -684 -856 -863 -536 -812 183 403 118 493 396 949 567 465 1121 336 -634 -120 -569 -364 415 479 -952 -901 -397 -563 442 290 274 -476 -443 280 378 544 57 607 173 1 -589 -686 161 -558 372 458 718 1558 1298 272 -156 -107 437 -22 182 -650 278 58 -620 406 -573 -543 -22 78 -268 -413 -1221 442 -926 -135 273 167 144 -783 733 -346 -339 -499 -340 -596 486 189 597 -346 1059 1076 17 -179 -187 -604 4 25 440 969 1324 116 -35 -458 733 -241 287 -156 -455 -480 -885 -103 -1066 -128 -248 -378 -871 -831 42 192 -51 416 533 715 950 -4 956 -8 1425 983 -261 1170 520 102 -596 386 89 537 288 619 340 -417 689 101 -435 -407 472 145 -188 -915 -1060 -2252 -737 -960 -1012 -650 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