File name: Pandora21s1_Bremen_20211011_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T091818.3Z 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_20211011_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: 20211011 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 20211011T071645.6Z 7954.303305 99 1 49.32 2 77.85 119.88 131.65 77.53 0.00 1 0.00 1 0 25 2.508e-01 5.933e-03 1.254e-01 2.069e-03 6.243788e-01 1.123579e-03 7.791830e-03 -6.000000e+00 1.478249e-01 224.89 -2.00 3.88 -2.00 321.02 0.00e+00 2.433750e-03 4.164041e-04 6.311444e-04 -6.000000e+00 6.065460e-03 275.95 -2.00 20.00 -2.00 320.70 0.00e+00 4.613 0.002 302.00 328.00 3 1.4667e+00 3.3321e-03 5.8251e-02 -6.0000e+00 3.6735e-01 4.8180e-02 4.4747e-03 3.6712e-02 -6.0000e+00 4.0009e-01 -1.0713e-02 5.1471e-03 2.0398e-02 -6.0000e+00 2.3584e-01 -6.7124e-03 2.6072e-03 6.7724e-03 -6.0000e+00 9.9015e-02 6.3704e-04 -1.2133e-03 6.5112e-05 8.9654e-05 -6.0000e+00 7.5292e-03 -3.1283e-03 -3.5550e-06 11 1 0 11 8 0 99.95 22.15 0.18 -0.00313 -0.01225 357 70 1 5 0 138.121 25.28 20.00 22.15 18.62 27.0 1027.99 -76672 900000 -86590 -20989 -148009 41206 -130464 17223 -102201 -23757 -65375 -6721 36969 -54209 52852 -38755 10523 -39242 36737 -12709 8488 -3832 -1408 9605 -17601 5387 -17157 25639 -17196 17267 -2353 7604 5223 -9562 18255 -9711 9418 -9562 4748 -4788 7700 -3416 -350 1717 1692 3069 -763 4736 -1342 3090 -1586 3005 2140 2100 2890 405 948 -1322 1957 -631 3109 -241 2322 346 580 1598 206 2074 -946 234 -1340 882 -537 66 -132 -243 641 -651 1268 -1490 352 -926 -1104 -1817 -812 -1221 -771 306 -19 810 369 992 360 1424 903 551 801 272 -31 -720 194 -284 882 -40 -595 -769 -961 -169 -142 176 -371 8 -227 395 366 900 634 40 -38 -688 -684 -384 -223 -493 60 95 1032 1247 375 321 -134 246 156 302 -280 -142 -57 -70 -264 -262 43 -133 430 -445 900000 -689 -93 -1922 98 -1553 62 -1194 -153 -649 -45 206 -829 394 -744 150 -935 497 -276 159 -81 -31 204 -507 135 -531 550 -533 425 -78 270 214 -477 718 -488 433 -600 314 -404 654 -347 -36 181 182 335 -88 538 -169 398 -233 470 370 394 571 86 206 -295 417 -136 667 -58 608 102 182 498 64 650 -331 91 -584 397 -245 29 -53 -90 220 -225 469 -652 175 -530 -695 -1230 -578 -927 -613 248 -16 640 278 697 244 965 668 463 765 294 -37 -872 223 -303 862 -38 -605 -828 -1090 -202 -182 247 -573 14 -376 636 563 1325 926 60 -61 -1137 -1139 -625 -351 -753 88 135 1415 1727 566 536 -245 476 315 640 -629 -336 -139 -173 -651 -636 99 -295 914 SS 20211011T072753.2Z 7954.311032 102 1 48.99 2 76.43 122.30 130.11 79.94 0.00 1 0.00 1 0 25 1.270e-01 4.803e-03 2.831e-02 8.303e-04 5.665346e-01 4.407365e-04 7.197426e-03 -6.000000e+00 7.487232e-02 224.89 -2.00 3.88 -2.00 320.57 0.00e+00 1.134314e-03 1.478325e-04 4.766011e-04 -6.000000e+00 3.042410e-03 275.95 -2.00 20.00 -2.00 320.26 0.00e+00 4.160 0.002 302.00 328.00 3 5.4757e-01 1.2728e-03 5.2550e-02 -6.0000e+00 1.8607e-01 3.7556e-02 1.6031e-03 3.2899e-02 -6.0000e+00 2.0261e-01 -1.1699e-02 1.7157e-03 1.7694e-02 -6.0000e+00 1.1936e-01 -6.7660e-03 8.9143e-04 5.6670e-03 -6.0000e+00 4.9829e-02 2.6275e-03 -7.4830e-04 2.5779e-05 7.5363e-05 -6.0000e+00 3.8101e-03 -4.6533e-03 4.7435e-05 10 0 0 10 0 0 23.55 22.15 0.20 -0.00465 -0.01028 776 152 1 5 0 62.353 25.28 20.00 22.15 19.21 27.2 1033.04 -39741 -40928 -43225 -56585 -46478 -38781 -55844 -41286 -34346 -32792 -27087 -28989 -21756 -19358 -9962 -3753 -8743 -1179 -3022 -4874 -651 -7040 -3302 -4101 373 -2810 -2615 -5725 -4760 -1878 -3082 427 -1099 -1398 -2219 -840 -1631 -1626 -911 -1770 -1404 -1518 -1402 -1024 -455 -293 30 72 25 788 889 1620 869 1101 703 699 99 511 -202 850 1112 1162 1100 650 535 763 1254 870 918 486 2 95 -143 71 -26 425 39 134 264 -509 -603 -1149 -1415 -1174 -1163 -804 -494 -196 273 358 739 918 1396 1307 877 698 749 352 -355 -366 -300 -216 477 277 -975 -805 -667 -528 -11 -29 -87 -180 -67 36 362 746 636 336 -172 -700 -773 -269 -318 -131 59 231 950 1169 552 299 124 66 165 316 -160 -207 40 -12 -376 -171 -105 -49 194 -275 -334 -388 -575 -404 -308 -567 -413 -364 -374 -313 -384 -327 -327 -189 -79 -219 -30 -85 -149 -20 -214 -101 -137 13 -107 -102 -226 -184 -74 -141 22 -66 -90 -143 -54 -114 -134 -84 -197 -177 -207 -201 -151 -68 -44 5 11 4 135 166 334 198 271 185 192 28 145 -57 234 313 354 375 247 214 302 483 342 389 219 1 50 -76 36 -13 193 16 56 118 -264 -339 -739 -1004 -889 -939 -689 -446 -182 253 323 625 722 1037 974 709 641 786 393 -435 -458 -359 -236 510 292 -1092 -957 -784 -658 -14 -42 -140 -289 -108 60 571 1115 937 511 -278 -1188 -1331 -452 -516 -204 89 332 1308 1620 833 504 215 123 320 647 -348 -451 90 -28 -866 -386 -238 -105 400 SS 20211011T075322.6Z 7954.328734 111 1 49.15 2 73.30 128.00 126.53 85.22 0.00 1 0.00 1 0 25 2.927e-02 4.589e-03 2.043e-02 1.036e-03 4.717424e-01 5.420376e-04 6.067968e-03 -6.000000e+00 1.725329e-02 224.88 -2.00 3.88 -2.00 320.06 0.00e+00 7.351120e-04 1.564925e-04 3.064280e-04 -6.000000e+00 7.012345e-04 275.95 -2.00 20.00 -2.00 319.75 0.00e+00 3.426 0.001 302.00 328.00 3 1.5637e+00 1.5150e-03 4.3279e-02 -6.0000e+00 4.2876e-02 2.2801e-02 1.8058e-03 2.6908e-02 -6.0000e+00 4.6691e-02 1.3388e-02 1.7072e-03 1.4140e-02 -6.0000e+00 2.7507e-02 -1.6104e-02 9.0843e-04 4.4150e-03 -6.0000e+00 1.1480e-02 2.1141e-03 -7.7398e-04 3.2933e-05 5.5887e-05 -6.0000e+00 8.7820e-04 -3.9622e-03 2.1860e-05 10 0 0 10 0 0 99.99 22.16 0.14 -0.00396 -0.00978 791 155 1 5 0 61.195 25.28 20.00 22.16 21.37 27.3 1041.85 -6746 -4353 -5773 -12737 -4011 -13842 -6570 -9955 -15008 -7834 -6435 -5847 -6024 -3401 2633 2375 4413 -2633 2408 -2321 1232 1940 3303 807 -289 -796 -1753 -1946 -187 2119 778 2061 773 -830 88 -882 135 -2033 -1331 -1973 -1862 -1639 -2143 -1082 -446 -1166 -873 -1111 -54 726 -294 375 441 548 293 771 608 -130 700 816 1410 1297 1556 205 264 539 647 992 847 454 -109 62 -476 -178 -15 302 511 845 519 -133 -491 -1227 -1270 -1089 -945 -743 -446 -153 -77 62 595 908 1086 1320 1139 643 821 297 -288 -396 -220 -248 346 256 -720 -714 -692 -314 123 56 -121 -155 -106 144 236 694 639 286 -101 -707 -755 -393 -401 -174 37 170 841 1054 521 289 99 107 161 327 -125 -222 7 39 -351 -142 -121 -92 229 -89 -64 -91 -196 -57 -213 -101 -166 -297 -156 -133 -132 -151 -101 89 87 176 -122 114 -121 64 101 177 48 -19 -51 -116 -133 -12 140 54 163 69 -80 8 -84 14 -248 -195 -325 -345 -326 -448 -229 -95 -253 -190 -245 -12 167 -74 102 131 174 98 268 218 -47 247 285 502 497 658 96 129 256 295 451 414 250 -67 40 -309 -111 -9 158 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