File name: Pandora21s1_Bremen_20230415_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T140345.8Z 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_20230415_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: 20230415 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 20230415T135536.4Z 8505.580282 391 1 10.40 2 52.80 229.14 106.78 261.00 0.00 1 0.00 1 0 17 1.514e-02 6.508e-03 1.174e-02 4.058e-03 2.873903e-01 2.126914e-03 3.864265e-03 -6.000000e+00 9.054199e-03 227.64 -2.00 3.88 -2.00 316.91 0.00e+00 -2.077284e-05 2.567684e-04 6.405856e-05 -6.000000e+00 3.631486e-04 272.21 -2.00 20.00 -2.00 316.61 0.00e+00 1.650 0.000 302.00 328.00 3 5.3214e+00 5.5673e-03 2.3347e-02 -6.0000e+00 2.2646e-02 5.8958e-02 6.1976e-03 1.6276e-02 -6.0000e+00 2.4573e-02 -8.8357e-03 3.7189e-03 8.1175e-03 -6.0000e+00 1.4448e-02 -6.4299e-04 1.8104e-03 2.3296e-03 -6.0000e+00 6.0268e-03 3.3612e-04 -6.8974e-05 1.2454e-04 2.9732e-05 -6.0000e+00 4.5412e-04 -3.3064e-02 1.4101e-04 12 9 1 12 9 1 99.89 22.23 0.28 -0.03306 -0.03358 3 4 1 5 0 2555.574 25.28 20.00 22.23 19.14 32.1 1025.59 1266 1034 -1369 -8726 1791 -5635 -2402 3661 -668 5322 -1935 3877 -3718 -954 -811 -2548 -186 -418 3113 -2475 3664 -902 1959 -276 -991 75 281 398 -1519 1951 -2072 1948 -389 99 -906 -1787 141 -81 -906 -139 -1217 -357 86 -1722 -240 -883 -122 -572 -1209 1429 979 1376 -87 1101 628 819 614 365 1680 170 1285 358 1742 1006 245 -496 1096 411 816 965 -793 299 84 -551 -422 109 58 162 80 -1769 -840 -1934 -665 -1688 -927 -1099 214 -36 -418 462 -185 646 -23 801 -76 1162 584 401 -156 -364 306 -500 -120 44 -571 -972 -504 -412 -217 426 605 255 -375 22 -582 316 271 122 179 28 -356 -224 122 -9 903 351 -51 1034 555 642 -22 355 496 245 24 337 -226 -185 -326 85 -291 -927 -224 141 128 -180 -1189 205 -654 -278 441 -92 742 -294 573 -639 -181 -173 -609 -46 -108 811 -697 1003 -258 554 -83 -314 25 92 126 -467 568 -643 625 -136 36 -324 -630 51 -33 -424 -73 -707 -216 53 -1097 -151 -559 -76 -353 -742 862 609 896 -60 785 462 614 468 280 1264 128 972 284 1444 879 219 -434 903 331 668 846 -752 294 84 -542 -398 96 48 128 63 -1510 -772 -1926 -693 -1840 -1044 -1294 259 -45 -526 572 -221 729 -25 824 -80 1272 687 503 -206 -488 399 -625 -144 52 -702 -1250 -667 -561 -303 616 906 391 -574 32 -825 426 358 163 248 40 -525 -331 178 -13 1249 472 -67 1325 729 878 -31 519 734 370 37 541 -372 -310 -548 143 -479 -1498 -354 SS 20230415T141752.2Z 8505.595744 401 1 49.50 2 55.44 235.08 109.90 265.22 0.00 1 0.00 1 0 17 1.104e-02 4.721e-03 5.918e-03 1.278e-03 2.990587e-01 6.666692e-04 3.999285e-03 -6.000000e+00 6.604558e-03 227.64 -2.00 3.88 -2.00 318.07 0.00e+00 1.222820e-04 1.069419e-04 9.116522e-05 -6.000000e+00 2.649228e-04 272.21 -2.00 20.00 -2.00 317.77 0.00e+00 1.758 0.000 302.00 328.00 3 3.9973e+00 1.7721e-03 2.4621e-02 -6.0000e+00 1.6519e-02 3.7382e-02 1.9834e-03 1.7021e-02 -6.0000e+00 1.7927e-02 -5.7172e-04 1.2944e-03 8.5450e-03 -6.0000e+00 1.0540e-02 -5.2878e-03 6.6578e-04 2.4909e-03 -6.0000e+00 4.3956e-03 1.1265e-03 -3.4115e-04 4.0335e-05 3.0669e-05 -6.0000e+00 3.3137e-04 -3.3007e-02 6.4479e-05 10 0 0 10 0 0 99.99 22.23 0.19 -0.03301 -0.03557 216 42 1 5 0 229.122 25.28 20.00 22.23 19.51 32.6 1029.07 -7148 -1600 -4526 -1236 -960 -543 1698 -2226 895 -1888 -339 -3396 1254 -317 -924 -1763 -1512 1414 -335 1157 -899 1452 -547 275 -798 -452 248 -1393 832 647 2460 -97 1409 -1492 -251 -1106 -630 223 -657 -939 -1269 -515 -1020 -513 -603 -543 -182 -680 -231 419 781 256 976 657 560 629 917 622 571 1077 1040 1623 653 1026 -81 56 126 351 818 470 174 -331 -97 -305 -43 8 170 306 333 -156 -459 -652 -1685 -1026 -1269 -829 -375 -223 -26 -109 519 470 785 710 1125 508 577 479 -209 -292 -372 -439 12 266 -657 -662 -719 -311 -59 87 84 -176 -67 -278 149 313 446 275 297 -164 -394 -112 -246 -5 161 380 520 990 589 595 326 -10 155 173 217 -124 92 159 -270 -195 -197 -460 -288 -504 -119 -361 -92 -67 -36 112 -169 73 -167 -30 -320 124 -37 -124 -261 -239 227 -57 202 -164 260 -102 53 -165 -97 53 -299 165 125 485 -21 330 -376 -61 -265 -158 63 -220 -370 -550 -236 -487 -248 -292 -262 -88 -326 -109 196 379 133 530 378 336 387 574 392 355 658 646 1059 466 768 -63 42 89 238 570 363 146 -297 -87 -271 -36 7 121 203 223 -115 -376 -584 -1627 -1043 -1371 -937 -448 -272 -32 -134 596 506 785 675 1086 535 663 600 -280 -400 -491 -546 14 308 -794 -854 -959 -433 -84 133 134 -290 -110 -433 218 433 605 380 426 -247 -619 -177 -378 -8 232 528 687 1294 786 850 490 -15 245 283 366 -221 168 297 -512 -367 -358 -820 -495 SS 20230415T142639.7Z 8505.601848 407 1 48.81 2 56.53 237.33 111.14 266.90 0.00 1 0.00 1 0 25 9.757e-03 4.957e-03 1.542e-03 3.499e-04 3.063407e-01 1.830925e-04 4.115307e-03 -6.000000e+00 5.834718e-03 227.64 -2.00 3.88 -2.00 317.87 0.00e+00 2.739438e-04 2.798280e-05 8.986560e-05 -6.000000e+00 2.340397e-04 272.21 -2.00 20.00 -2.00 317.57 0.00e+00 1.808 0.000 302.00 328.00 3 1.7526e+00 4.8543e-04 2.5290e-02 -6.0000e+00 1.4593e-02 1.6380e-02 5.4195e-04 1.7468e-02 -6.0000e+00 1.5837e-02 -7.8323e-03 3.4837e-04 8.7533e-03 -6.0000e+00 9.3113e-03 -1.2022e-03 1.7831e-04 2.5405e-03 -6.0000e+00 3.8833e-03 1.0140e-02 -3.5304e-04 1.0966e-05 3.1815e-05 -6.0000e+00 2.9273e-04 -3.3042e-02 7.2245e-05 10 0 0 10 0 0 99.96 22.23 0.19 -0.03304 -0.03569 981 192 1 5 0 47.845 25.28 20.00 22.23 19.92 32.3 1029.67 -4338 -2548 -4274 -3415 -2610 -2003 -1410 -1194 -1152 -2754 -1541 -1120 -1144 -1445 -818 -1076 -624 -106 -80 252 124 500 523 231 -193 -352 -587 -577 325 562 621 1094 747 -596 -696 -423 -842 -473 -457 -742 -1045 -789 -858 -694 -482 -401 -360 -463 -177 450 623 641 994 787 661 820 812 560 772 1016 1248 1306 1191 717 10 261 221 423 722 412 -115 -240 -225 -260 -185 102 212 287 477 -176 -531 -987 -1528 -1272 -1134 -913 -611 -390 -160 -182 263 343 671 958 949 650 692 559 -272 -420 -325 -520 86 332 -443 -580 -528 -404 -58 29 -81 -170 -181 -119 179 474 587 450 302 -222 -438 -239 -246 -102 187 281 720 1128 804 546 333 96 183 283 61 -115 20 69 -370 -258 -305 -361 -217 -309 -200 -355 -272 -190 -137 -98 -92 -99 -256 -145 -108 -122 -178 -116 -170 -106 -19 -15 48 24 98 104 48 -43 -82 -138 -131 69 117 134 255 190 -161 -184 -109 -228 -146 -168 -298 -471 -379 -427 -351 -244 -203 -180 -228 -86 218 314 346 570 479 420 534 540 375 508 660 822 909 839 545 8 197 167 308 541 319 -99 -220 -209 -236 -158 79 160 202 340 -138 -440 -915 -1547 -1276 -1205 -1034 -733 -485 -201 -224 304 366 698 944 956 713 790 709 -354 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