File name: Pandora21s1_Bremen_20210525_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T073405.9Z 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_20210525_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: 20210525 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 20210525T070656.1Z 7815.296483 296 1 30.07 2 57.65 97.85 127.89 297.48 0.00 1 0.00 1 0 25 1.005e-02 4.800e-03 7.445e-03 1.276e-03 3.391468e-01 6.709752e-04 4.468028e-03 -6.000000e+00 6.076763e-03 231.88 -2.00 3.88 -2.00 318.35 0.00e+00 6.733607e-05 1.162146e-04 1.151723e-04 -6.000000e+00 2.407998e-04 277.35 -2.00 20.00 -2.00 318.04 0.00e+00 1.862 0.000 302.00 328.00 3 3.6044e+00 1.8086e-03 2.7427e-02 -6.0000e+00 1.5351e-02 2.6988e-02 2.0253e-03 1.9652e-02 -6.0000e+00 1.6635e-02 6.6520e-03 1.3699e-03 9.7525e-03 -6.0000e+00 9.7476e-03 -7.6304e-03 7.1197e-04 2.7812e-03 -6.0000e+00 4.0080e-03 1.4077e-03 -3.8526e-04 4.0021e-05 3.3674e-05 -6.0000e+00 3.0216e-04 -6.4725e-04 2.4656e-06 12 1 1 12 1 1 100.00 22.33 0.09 -0.00065 -0.00354 155 51 1 5 0 191.628 25.28 20.00 22.33 16.49 24.1 989.54 -1971 -207 -1507 -4364 12 -4880 2517 -2571 2094 -705 1398 -34 -1574 -91 -1609 -1026 -1829 912 -1214 -151 -618 578 773 59 -390 -668 -348 -1394 1008 786 1990 1246 465 -818 -817 465 -1550 -618 -1917 -1136 -1726 -468 -803 -686 -623 -753 -458 -739 -285 118 599 787 903 489 494 870 691 617 132 1081 1133 1281 1358 771 121 324 569 655 884 70 89 -123 23 -194 126 -103 326 679 209 136 -715 -1116 -1535 -1050 -1074 -722 -555 -221 7 122 471 174 834 834 782 551 938 416 -252 -433 -501 -560 -68 -89 -783 -594 -531 -308 -26 78 235 -86 115 -60 193 476 535 291 51 -362 -615 -76 -408 -27 164 423 684 944 766 343 282 82 149 231 -95 -113 87 -51 -307 -49 -203 -252 -244 -101 -11 -87 -249 1 -254 130 -154 133 -49 97 -3 -132 -9 -179 -126 -241 124 -176 -22 -95 88 121 10 -70 -124 -65 -252 171 133 354 245 99 -183 -179 100 -364 -166 -615 -417 -701 -198 -352 -305 -278 -337 -203 -324 -124 52 278 389 474 271 284 512 415 371 79 636 682 816 929 562 90 231 385 437 618 54 74 -107 20 -165 101 -76 223 446 143 102 -598 -1022 -1503 -1073 -1154 -816 -654 -268 9 144 528 183 820 799 777 593 1098 530 -340 -588 -656 -690 -79 -105 -969 -770 -714 -429 -38 120 373 -140 184 -93 282 664 735 409 76 -558 -970 -118 -627 -41 236 587 915 1253 1060 504 435 131 241 386 -165 -204 160 -96 -580 -92 -370 -446 -423 SS 20210525T071148.0Z 7815.299862 299 1 30.67 2 56.93 98.89 128.52 298.66 0.00 1 0.00 1 0 25 8.731e-03 4.678e-03 4.780e-03 7.742e-04 3.315014e-01 4.082022e-04 4.366748e-03 -6.000000e+00 5.278793e-03 231.88 -2.00 3.88 -2.00 318.54 0.00e+00 6.381196e-05 7.371075e-05 1.167579e-04 -6.000000e+00 2.091703e-04 277.35 -2.00 20.00 -2.00 318.22 0.00e+00 1.827 0.000 302.00 328.00 3 2.3427e+00 1.1038e-03 2.6865e-02 -6.0000e+00 1.3335e-02 7.7190e-03 1.2375e-03 1.9232e-02 -6.0000e+00 1.4450e-02 2.0156e-02 8.4967e-04 9.5617e-03 -6.0000e+00 8.4675e-03 -1.4530e-02 4.4306e-04 2.7394e-03 -6.0000e+00 3.4818e-03 5.2407e-03 -3.4516e-04 2.4613e-05 3.3694e-05 -6.0000e+00 2.6247e-04 -7.2473e-04 1.1541e-05 12 1 1 12 1 1 100.00 22.33 0.14 -0.00072 -0.00332 1142 371 1 5 0 26.060 25.28 20.00 22.33 16.66 24.0 990.05 938 -2178 -1301 1502 952 2544 2067 2562 590 1457 2432 2129 1428 -824 15 -1273 740 -186 663 -1022 97 521 129 -96 -4 -420 -1229 462 102 1777 1241 1383 743 -1276 -599 -1228 -553 -918 -422 -1579 -1341 -1372 -1272 -1160 -1058 -887 -1067 -721 -667 338 241 531 796 472 368 600 716 485 892 903 1376 1272 1239 649 83 554 266 780 735 566 -220 35 -243 -149 43 377 530 469 698 -277 -394 -1039 -1302 -1125 -934 -790 -433 -160 -23 36 311 482 784 1175 865 818 814 333 -267 -442 -317 -556 206 -12 -700 -590 -595 -313 1 129 11 38 -111 -50 202 501 427 293 85 -528 -604 -323 -244 -82 263 215 762 990 519 423 161 126 64 331 -85 -49 78 50 -281 -93 -225 -314 -42 46 -116 -74 79 47 119 103 143 37 93 158 146 111 -77 2 -147 90 -24 89 -145 14 75 19 -15 -1 -74 -218 77 16 279 208 255 150 -271 -123 -251 -121 -236 -124 -548 -515 -559 -535 -495 -452 -378 -451 -300 -276 141 106 251 401 252 198 331 402 273 511 514 800 762 807 454 59 376 170 505 485 417 -180 30 -209 -124 33 264 351 296 456 -203 -315 -928 -1260 -1110 -979 -883 -509 -194 -28 43 342 487 757 1094 842 846 939 427 -356 -595 -406 -681 235 -14 -860 -769 -788 -433 1 201 17 63 -180 -79 296 687 594 406 124 -827 -975 -517 -380 -123 374 303 1017 1307 724 615 250 204 106 551 -149 -91 150 98 -538 -180 -423 -566 -73 SS 20210525T071550.6Z 7815.302669 302 1 18.77 2 56.33 99.77 129.03 299.64 0.00 1 0.00 1 0 25 9.796e-03 5.257e-03 7.717e-03 1.609e-03 3.277138e-01 8.478777e-04 4.330122e-03 -6.000000e+00 5.923094e-03 231.88 -2.00 3.88 -2.00 317.97 0.00e+00 2.082649e-04 1.323698e-04 9.954554e-05 -6.000000e+00 2.346680e-04 277.35 -2.00 20.00 -2.00 317.65 0.00e+00 1.798 0.000 302.00 328.00 3 3.8831e+00 2.2716e-03 2.6471e-02 -6.0000e+00 1.4963e-02 3.2738e-02 2.5345e-03 1.8953e-02 -6.0000e+00 1.6213e-02 3.6469e-04 1.6416e-03 9.3718e-03 -6.0000e+00 9.5007e-03 -4.6147e-03 8.3889e-04 2.6539e-03 -6.0000e+00 3.9071e-03 1.1525e-03 -3.0498e-04 5.0146e-05 3.2293e-05 -6.0000e+00 2.9446e-04 -9.2017e-04 3.8394e-05 12 1 1 12 1 1 100.00 22.33 0.14 -0.00092 -0.00321 64 34 1 5 0 286.146 25.28 20.00 22.33 16.88 24.2 992.30 2852 -4468 -1573 530 -1701 -635 -1367 2341 -2158 1410 -1151 1974 -1898 397 -1028 -577 -1196 -661 1383 -1254 758 -2101 802 -1282 804 -1011 -2027 859 391 926 -68 2199 -669 -959 -1799 -102 -1180 -732 247 -1746 -767 -1152 -679 -476 -297 -33 -415 -628 -918 872 261 1046 956 844 49 762 443 728 861 1018 1446 1057 1461 150 245 459 334 166 860 428 -321 186 -466 114 -173 43 75 274 474 -399 -504 -1165 -1342 -1154 -1001 -883 -304 -308 -201 -85 498 677 667 805 646 1001 972 419 -305 -395 -357 -598 371 0 -659 -953 -435 -424 -133 -161 -14 12 -178 203 -62 427 439 535 65 -407 -685 -223 -77 -94 537 334 834 930 830 614 198 366 37 322 -156 -94 -71 177 -336 -138 -367 -452 -157 175 -322 -114 36 -110 -39 -90 166 -175 117 -100 175 -195 46 -138 -85 -189 -109 235 -226 137 -394 150 -257 168 -223 -450 179 78 184 -14 499 -168 -249 -459 -25 -318 -226 88 -728 -347 -550 -332 -236 -147 -16 -205 -307 -448 426 134 567 549 508 31 486 288 473 552 649 938 726 1070 117 193 348 242 118 638 347 -282 169 -428 101 -147 34 55 192 342 -315 -438 -1104 -1351 -1211 -1099 -1017 -363 -377 -247 -102 569 726 675 793 658 1091 1149 536 -410 -535 -467 -741 437 0 -820 -1241 -585 -590 -192 -243 -22 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