File name: Pandora21s1_Bremen_20250602_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250602T233626.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 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_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20250602_L1_smca1c10d20231020p1-8.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: 20250602 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: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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 20250602T065741.2Z 9284.290061 212 1 53.90 2 58.26 94.76 110.63 30.70 0.00 1 0.00 1 0 25 9.390e-03 4.720e-03 8.451e-04 2.099e-04 2.981214e-01 1.092954e-04 3.910757e-03 -6.000000e+00 5.629758e-03 232.53 -2.00 3.88 -2.00 317.83 0.00e+00 2.140468e-04 1.627069e-05 8.190677e-05 -6.000000e+00 2.247191e-04 278.35 -2.00 20.00 -2.00 317.48 0.00e+00 1.894 0.000 302.00 328.00 3 8.0175e-01 2.9236e-04 2.5808e-02 -6.0000e+00 1.4239e-02 6.4554e-03 3.2685e-04 1.7220e-02 -6.0000e+00 1.5482e-02 -3.7579e-03 2.0472e-04 8.4379e-03 -6.0000e+00 9.0674e-03 -1.3533e-03 1.0218e-04 2.3414e-03 -6.0000e+00 3.6702e-03 2.4819e-02 -8.3770e-04 6.5557e-06 2.8204e-05 -6.0000e+00 2.8282e-04 -1.2123e-02 0.0000e+00 10 0 0 10 0 0 28.11 23.00 0.23 -0.01212 -0.01842 1915 376 1 5 0 26.186 26.00 20.00 23.00 23.47 36.8 1013.96 -3722 -3435 -1435 -627 -928 -2575 -2672 -2176 -2215 -1266 -1684 -2297 -2825 -2066 -1821 -938 -482 -258 269 129 832 730 317 -104 66 -63 326 762 801 685 738 850 -319 -379 -587 -1133 -1236 -918 -1015 -1044 -758 -669 -484 -285 -265 -268 -403 -182 300 617 604 870 818 783 782 862 631 792 920 1123 1231 1235 950 278 273 134 176 627 490 105 -24 -228 -282 -219 -137 -19 10 359 -144 -320 -831 -1409 -1259 -1112 -876 -559 -357 -100 -168 108 197 438 699 886 711 818 644 -70 -353 -326 -664 -245 82 -395 -605 -551 -457 -165 27 72 -29 -98 -25 69 312 486 330 321 -177 -410 -195 -182 -61 254 395 648 1042 794 599 398 167 205 196 80 -170 -87 101 -289 -203 -156 -319 -217 -336 -306 -301 -123 -49 -68 -191 -216 -196 -217 -127 -173 -256 -361 -302 -300 -166 -89 -50 54 27 173 153 69 -24 16 -16 79 174 176 154 179 225 -90 -107 -160 -320 -394 -320 -418 -486 -379 -348 -257 -152 -141 -141 -209 -93 152 323 337 518 479 480 494 556 411 510 585 720 828 898 745 228 217 100 125 451 387 92 -22 -206 -251 -198 -114 -14 7 247 -108 -271 -737 -1370 -1299 -1214 -956 -647 -431 -122 -203 124 222 452 677 863 747 952 782 -93 -487 -436 -831 -283 99 -468 -769 -738 -641 -228 39 112 -45 -149 -38 99 443 662 454 437 -258 -628 -302 -276 -90 356 559 873 1354 1059 855 573 253 319 315 126 -286 -151 180 -529 -370 -277 -546 -358 -549 SS 20250602T070426.4Z 9284.294750 215 1 53.87 2 57.25 96.17 110.14 32.31 0.00 1 0.00 1 0 25 9.235e-03 4.727e-03 8.024e-04 2.124e-04 2.895145e-01 1.107741e-04 3.806120e-03 -6.000000e+00 5.536458e-03 232.53 -2.00 3.88 -2.00 317.71 0.00e+00 1.789966e-04 1.597243e-05 7.609311e-05 -6.000000e+00 2.210018e-04 278.35 -2.00 20.00 -2.00 317.37 0.00e+00 1.842 0.000 302.00 328.00 3 8.7687e-01 2.9598e-04 2.5087e-02 -6.0000e+00 1.4003e-02 5.3742e-03 3.3079e-04 1.6724e-02 -6.0000e+00 1.5225e-02 -3.1096e-03 2.0475e-04 8.1920e-03 -6.0000e+00 8.9173e-03 -1.4579e-03 1.0134e-04 2.2720e-03 -6.0000e+00 3.6092e-03 2.4551e-02 -8.7556e-04 6.6443e-06 2.8118e-05 -6.0000e+00 2.7815e-04 -1.1755e-02 0.0000e+00 10 0 0 10 0 0 99.08 23.00 0.23 -0.01175 -0.01833 1923 377 1 5 0 26.067 26.00 20.00 23.00 24.18 36.8 1017.72 -4273 -2562 -2014 -377 -1079 -2012 -3327 -1820 -1718 -1358 -1284 -2323 -2364 -2119 -1590 -906 -276 -227 336 345 840 919 129 46 -12 5 1 928 990 800 775 878 -249 -636 -482 -1277 -1037 -986 -897 -994 -692 -687 -530 -203 -335 -329 -484 -73 217 567 673 909 884 729 825 850 702 677 965 1087 1281 1236 938 275 201 133 50 607 488 95 -99 -259 -235 -226 -64 -39 13 361 -119 -365 -768 -1366 -1209 -1109 -902 -583 -412 -107 -210 83 160 425 708 891 711 807 669 -80 -346 -322 -650 -254 153 -381 -596 -523 -459 -135 -15 55 -37 -79 -47 73 345 447 336 334 -156 -414 -186 -184 -56 275 400 675 1062 791 587 410 151 190 170 76 -162 -72 108 -309 -196 -184 -305 -248 -324 -382 -241 -187 -32 -85 -160 -291 -176 -180 -146 -141 -276 -320 -329 -277 -170 -54 -46 71 75 184 203 30 11 -3 1 0 221 227 188 196 241 -73 -186 -136 -373 -341 -355 -382 -478 -357 -369 -290 -111 -184 -179 -259 -38 113 303 383 552 528 456 530 558 465 444 624 709 876 915 748 228 163 100 36 442 389 85 -88 -237 -211 -206 -54 -29 9 251 -90 -311 -683 -1332 -1250 -1213 -988 -677 -499 -132 -255 95 180 439 686 868 746 937 810 -106 -475 -428 -809 -293 183 -450 -754 -698 -642 -186 -21 85 -59 -127 -72 104 485 602 458 478 -225 -629 -284 -278 -82 382 562 902 1368 1045 830 583 226 291 269 126 -267 -124 191 -557 -353 -322 -515 -404 -523 SS 20250602T071103.4Z 9284.299345 218 1 52.86 2 56.26 97.57 109.64 33.88 0.00 1 0.00 1 0 25 9.145e-03 4.768e-03 8.696e-04 2.430e-04 2.825733e-01 1.268975e-04 3.715455e-03 -6.000000e+00 5.482305e-03 232.53 -2.00 3.88 -2.00 317.59 0.00e+00 2.020906e-04 1.776671e-05 7.223347e-05 -6.000000e+00 2.188433e-04 278.35 -2.00 20.00 -2.00 317.24 0.00e+00 1.795 0.000 302.00 328.00 3 1.2412e+00 3.3842e-04 2.4455e-02 -6.0000e+00 1.3866e-02 8.1485e-03 3.7831e-04 1.6312e-02 -6.0000e+00 1.5076e-02 -2.3111e-03 2.3160e-04 7.9851e-03 -6.0000e+00 8.8301e-03 -1.7566e-03 1.1331e-04 2.2077e-03 -6.0000e+00 3.5738e-03 1.8021e-02 -8.8549e-04 7.6103e-06 2.7155e-05 -6.0000e+00 2.7544e-04 -1.1572e-02 0.0000e+00 10 0 0 10 0 0 99.91 23.01 0.21 -0.01157 -0.01823 1244 244 1 5 0 40.311 26.00 20.00 23.01 24.69 36.7 1019.55 -4261 -2916 -1481 -577 -1029 -2495 -2548 -2414 -1648 -1418 -949 -2185 -2523 -1887 -1579 -762 -292 80 6 500 706 1011 217 88 75 -21 400 837 1220 690 843 786 -154 -497 -450 -1162 -1101 -823 -881 -1026 -823 -620 -615 -293 -305 -291 -415 -203 283 603 719 854 806 664 813 836 628 715 870 1159 1158 1252 893 249 203 110 90 597 487 74 -33 -276 -246 -295 -14 -46 25 381 -110 -312 -835 -1354 -1291 -1102 -911 -544 -392 -102 -214 74 176 417 689 857 726 835 723 -67 -353 -348 -675 -267 71 -351 -625 -486 -476 -142 -4 83 -17 -68 -40 64 320 447 352 341 -118 -403 -170 -179 -75 319 380 676 1005 797 582 459 162 204 154 51 -162 -88 99 -295 -168 -187 -297 -270 -325 -408 -294 -146 -52 -87 -212 -235 -249 -183 -162 -110 -274 -361 -308 -289 -149 -60 17 1 113 162 233 52 22 20 -6 106 208 290 168 220 223 -47 -149 -130 -350 -373 -330 -385 -507 -435 -341 -345 -164 -171 -162 -227 -109 150 328 417 528 527 454 530 556 422 475 615 825 804 938 721 209 165 84 65 437 391 66 -30 -254 -222 -270 -12 -35 19 286 -83 -266 -797 -1320 -1336 -1205 -1064 -631 -475 -125 -259 86 199 431 666 831 758 964 868 -88 -481 -460 -834 -327 85 -412 -787 -644 -661 -194 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