File name: Pandora21s1_Bremen_20210811_L2Fit_fout2c12d20201116p1-8.txt File generation date: 20250430T204355.0Z 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_20210811_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: 20210811 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 20210811T063016.0Z 7893.271019 140 1 50.26 2 68.90 92.66 95.77 70.64 0.00 1 0.00 1 0 25 4.438e-02 6.510e-03 4.229e-02 3.695e-03 3.853875e-01 1.966489e-03 4.999219e-03 -6.000000e+00 2.691717e-02 232.78 -2.00 3.88 -2.00 319.51 0.00e+00 -3.727789e-04 4.627349e-04 1.860618e-04 -6.000000e+00 1.063232e-03 282.76 -2.00 20.00 -2.00 319.19 0.00e+00 2.751 0.000 302.00 328.00 3 4.4575e+00 5.4539e-03 3.5748e-02 -6.0000e+00 6.8146e-02 1.0005e-02 6.2240e-03 2.2637e-02 -6.0000e+00 7.3797e-02 2.1947e-02 4.9928e-03 1.1371e-02 -6.0000e+00 4.3213e-02 -1.4840e-02 2.6550e-03 3.3310e-03 -6.0000e+00 1.7735e-02 2.4509e-04 -7.1869e-04 1.1995e-04 4.1404e-05 -6.0000e+00 1.3345e-03 -6.1984e-04 -1.3365e-05 11 8 0 10 0 0 99.97 22.30 0.18 -0.00062 -0.00602 108 21 1 5 0 465.288 25.39 20.00 22.30 22.66 26.7 1009.62 -6552 20359 -22682 1927 10501 -7211 149 5264 13664 -2524 20728 1342 17175 -155 12128 723 -3252 999 -3096 5794 -1688 3374 -4061 3387 1629 -2200 -3103 3820 4319 -3991 4849 -2866 6497 -5160 6321 2350 -556 -798 -1437 -465 -3258 407 -4584 -152 -4121 626 -793 -2098 377 -1075 2610 -2327 1576 -1381 1507 464 1310 -430 812 1582 622 1621 21 1290 -162 2124 -425 746 865 80 72 -887 -53 -674 2244 -573 1160 717 1967 597 -732 -510 -2412 -478 -1414 -915 -999 170 33 -210 600 417 1719 896 2041 583 1510 140 -181 -829 103 -374 -99 233 -1248 -383 -534 -115 206 107 106 -44 47 -219 268 326 913 -124 -5 -882 -604 -341 -400 -137 -267 531 521 1215 178 553 -60 34 319 182 20 -148 354 -172 -203 -134 109 -167 -182 -173 475 -785 53 254 -198 4 154 411 -92 645 52 657 -8 642 47 -236 74 -251 453 -145 282 -375 312 163 -238 -341 383 416 -418 503 -353 803 -741 801 308 -81 -135 -292 -109 -872 112 -1372 -45 -1260 184 -236 -629 111 -331 824 -833 584 -560 621 200 574 -192 355 683 278 767 11 715 -93 1156 -226 389 478 50 49 -640 -38 -473 1439 -345 632 378 1073 368 -516 -398 -2071 -427 -1351 -927 -1068 186 37 -225 604 390 1489 765 1809 576 1647 170 -236 -1099 130 -441 -109 258 -1479 -477 -698 -157 296 164 173 -75 79 -352 403 465 1275 -179 -8 -1423 -996 -558 -638 -212 -397 753 711 1640 256 853 -98 58 563 334 39 -300 736 -365 -435 -283 223 -328 -349 SS 20210811T063524.1Z 7893.274585 143 1 22.82 2 68.13 93.71 95.08 71.67 0.00 1 0.00 1 0 25 2.593e-02 5.616e-03 2.732e-02 3.288e-03 3.722639e-01 1.737819e-03 4.876099e-03 -6.000000e+00 1.572457e-02 232.78 -2.00 3.88 -2.00 318.82 0.00e+00 6.339317e-04 3.431376e-04 1.484244e-04 -6.000000e+00 6.211470e-04 282.76 -2.00 20.00 -2.00 318.50 0.00e+00 2.661 0.000 302.00 328.00 3 4.4576e+00 4.7383e-03 3.4533e-02 -6.0000e+00 3.9810e-02 3.3750e-02 5.3294e-03 2.1799e-02 -6.0000e+00 4.3112e-02 1.1231e-03 3.8826e-03 1.0819e-02 -6.0000e+00 2.5244e-02 -6.5806e-03 2.0547e-03 3.1013e-03 -6.0000e+00 1.0360e-02 2.6973e-04 -6.4619e-04 1.0344e-04 3.7385e-05 -6.0000e+00 7.7965e-04 -3.1180e-04 -1.5172e-05 12 1 1 12 1 1 99.72 22.30 0.24 -0.00031 -0.00517 13 6 1 5 0 1617.329 25.39 20.00 22.30 23.11 26.6 1010.80 2877 -7415 5397 -6335 10231 -3565 -11154 -10912 -9111 -2360 4722 1725 -3609 2904 372 -3432 -1663 -6738 3119 -5485 -3538 -3369 2147 -1177 897 -2935 965 -2154 2887 2690 -1820 6142 1173 -703 2227 1170 -2800 -1753 -1321 -1910 -1644 -1876 1370 -1251 224 -1157 -1171 -365 -1106 2135 -212 981 -81 1347 537 927 591 365 746 890 2647 1196 2119 116 617 1094 369 86 1057 -229 -188 -676 -381 -143 -114 246 -552 252 791 221 -460 -979 -1304 -1222 -677 -269 -109 -393 9 -450 -95 643 909 917 775 192 1124 7 -378 -409 50 -509 197 -144 -590 -740 -774 -121 -202 80 164 20 -288 197 241 875 64 -134 131 -145 -932 -600 -112 -184 591 530 1076 996 774 364 281 87 300 30 -132 253 -20 -105 -289 -70 -264 -391 -178 93 -293 197 -249 323 -125 -443 -482 -438 -113 219 88 -219 194 30 -317 -163 -737 328 -652 -425 -408 254 -153 121 -430 137 -304 376 354 -269 932 204 -129 390 206 -551 -396 -352 -592 -561 -679 499 -475 85 -445 -450 -138 -424 814 -87 429 -38 661 276 489 319 198 398 473 1418 690 1309 78 419 715 232 54 690 -166 -148 -556 -314 -115 -87 172 -359 158 512 158 -368 -861 -1228 -1206 -700 -292 -124 -459 10 -516 -104 655 871 862 758 205 1299 9 -506 -551 65 -625 229 -169 -724 -953 -1036 -167 -292 122 261 33 -467 308 358 1240 90 -192 197 -227 -1495 -956 -175 -280 865 750 1471 1357 1102 551 447 142 504 52 -237 472 -39 -205 -565 -135 -498 -717 -320 SS 20210811T065015.4Z 7893.284900 149 1 52.74 2 65.91 96.76 93.06 74.61 0.00 1 0.00 1 0 25 1.046e-02 5.075e-03 1.635e-03 2.552e-04 3.401361e-01 1.348858e-04 4.467597e-03 -6.000000e+00 6.343240e-03 232.77 -2.00 3.88 -2.00 318.51 0.00e+00 3.029429e-04 2.417102e-05 1.192641e-04 -6.000000e+00 2.505199e-04 282.76 -2.00 20.00 -2.00 318.18 0.00e+00 2.432 0.000 302.00 328.00 3 5.0283e-01 3.6587e-04 3.1529e-02 -6.0000e+00 1.6059e-02 8.1618e-04 4.0909e-04 1.9852e-02 -6.0000e+00 1.7390e-02 -1.0814e-03 2.8032e-04 9.8111e-03 -6.0000e+00 1.0183e-02 -4.0378e-03 1.4614e-04 2.7910e-03 -6.0000e+00 4.1799e-03 1.8728e-02 -4.4719e-04 8.0726e-06 3.3467e-05 -6.0000e+00 3.1443e-04 -1.0171e-03 1.7738e-05 10 0 0 10 0 0 87.75 22.31 0.25 -0.00102 -0.00438 2076 407 1 5 0 23.763 25.39 20.00 22.31 23.74 26.4 1014.20 -3253 -3090 -3242 -3435 -3280 -2538 -3064 -1616 -2264 -2572 -1899 -1344 -1412 -1709 -988 -1534 -921 -796 -106 -657 -337 129 215 -204 -523 -772 -1226 -781 -158 465 517 943 151 -986 -914 -611 -975 -706 -575 -1274 -1143 -1028 -984 -709 -412 -499 -471 -422 -222 566 493 801 944 826 791 859 721 549 802 1077 1321 1357 1241 592 169 413 468 747 886 389 -129 -201 -266 -312 -106 233 376 595 458 -136 -550 -1130 -1441 -1170 -1011 -879 -524 -365 -171 -59 325 430 832 1130 988 692 803 278 -389 -484 -385 -430 270 132 -686 -689 -594 -409 -1 6 -72 -180 -130 -18 245 611 568 446 60 -435 -631 -258 -255 -31 284 345 962 1158 755 519 276 138 193 351 -51 -140 48 -69 -403 -198 -273 -293 -123 -149 -157 -170 -173 -152 -113 -146 -85 -133 -161 -121 -90 -107 -152 -101 -177 -113 -103 -14 -93 -49 19 32 -33 -89 -137 -219 -133 -26 75 89 178 31 -214 -193 -128 -221 -172 -167 -435 -432 -413 -409 -299 -174 -211 -198 -175 -92 237 218 381 480 445 445 497 427 326 468 624 784 862 797 410 119 279 297 465 584 287 -106 -173 -231 -262 -83 165 262 395 316 -98 -450 -1034 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