File name: Pandora21s1_Bremen_20241028_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20241029T000153.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20241028_L1_smca1c7d20231020p1-8.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: 20241028 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 20241028T072106.2Z 9067.306322 208 1 43.42 2 82.22 124.67 49.82 160.27 0.00 1 0.00 1 0 25 5.799e-01 1.724e-02 3.296e-01 8.647e-03 7.916806e-01 5.010054e-03 9.671260e-03 -6.000000e+00 3.470726e-01 222.65 -2.00 3.88 -2.00 321.80 0.00e+00 6.325661e-03 2.163999e-03 1.163326e-03 -6.000000e+00 1.586088e-02 273.34 -2.00 20.00 -2.00 321.48 0.00e+00 6.883 0.007 302.00 328.00 3 1.4313e+00 1.6014e-02 8.2439e-02 -6.0000e+00 8.6120e-01 4.1530e-01 2.3943e-02 4.7947e-02 -6.0000e+00 9.4090e-01 -4.8410e-01 2.8678e-02 2.8259e-02 -6.0000e+00 5.4795e-01 1.9426e-01 1.3931e-02 1.0048e-02 -6.0000e+00 2.3211e-01 6.4064e-05 -2.2121e-03 2.7246e-04 1.3856e-04 -6.0000e+00 1.7935e-02 2.7495e-03 0.0000e+00 12 9 9 12 1 1 94.68 22.95 0.41 0.00275 -0.01387 51 12 1 5 0 833.943 26.00 20.00 22.95 16.62 35.5 1012.66 93050 -134784 900000 -212025 900000 900000 -155808 900000 -223401 900000 -166108 900000 -185282 900000 -5763 -58112 -45744 -45039 900000 -110056 32358 -160433 216683 -60483 186999 -50706 58504 -1222 -47643 142196 -42401 13877 -29302 165216 -31574 37964 -25402 16170 51808 1388 -108 10835 69584 11213 76313 11364 53188 26318 22393 12675 6589 46703 7307 48421 175 26133 -4166 4894 11878 21540 13904 6366 15068 -1145 18498 5805 7463 7097 3592 7097 3740 4135 -2402 9812 -7560 3428 -7326 121 -2608 995 1225 -48 1642 -2690 2437 -3660 1898 -1331 -146 956 158 1547 -3652 976 -1918 812 -1472 -92 -2261 -330 -1017 1878 2148 -3492 -1145 -3010 -56 -1861 -459 -1514 -821 227 503 745 -873 1293 -348 560 -1313 50 1015 579 999 8 1095 496 2474 49 1796 -254 377 53 477 648 -583 470 -324 -394 -552 57 -546 -165 900000 783 -1135 900000 -3158 900000 900000 -1421 900000 -4340 900000 -2151 900000 -4799 900000 -49 -897 -706 -758 900000 -3563 272 -8007 1824 -1332 1574 -1084 492 -17 -1049 1197 -1290 312 -1044 1391 -1145 772 -1020 513 1490 70 -6 582 2163 639 2516 684 2204 1517 1450 930 578 3296 778 3669 23 2671 -579 606 1336 2215 1655 926 2301 -227 3125 1117 1454 1502 833 1780 1035 1151 -683 2274 -1879 752 -1775 30 -724 319 457 -21 747 -1362 1246 -2097 1068 -782 -83 512 80 743 -1873 524 -1230 597 -1289 -90 -2377 -333 -951 1535 1650 -2902 -986 -2798 -54 -2001 -548 -2070 -1154 332 735 1055 -1287 1834 -514 860 -2011 76 1593 872 1444 11 1480 656 3226 72 2948 -452 735 112 1061 1538 -1488 1235 -875 -1070 -1473 143 -1290 -366 900000 SS 20241028T074506.3Z 9067.322989 217 1 50.15 2 79.35 129.83 48.94 167.93 0.00 1 0.00 1 0 25 2.742e-01 5.330e-03 1.522e-01 2.625e-03 6.377444e-01 1.427738e-03 7.974905e-03 -6.000000e+00 1.611453e-01 222.65 -2.00 3.88 -2.00 321.10 0.00e+00 2.874716e-03 5.391640e-04 6.913490e-04 -6.000000e+00 6.601244e-03 273.33 -2.00 20.00 -2.00 320.79 0.00e+00 5.207 0.003 302.00 328.00 3 1.3849e+00 4.2286e-03 6.3134e-02 -6.0000e+00 3.9859e-01 8.5546e-02 5.8251e-03 3.7609e-02 -6.0000e+00 4.3412e-01 -4.5673e-02 6.8539e-03 2.1531e-02 -6.0000e+00 2.5601e-01 5.2389e-03 3.4574e-03 7.3860e-03 -6.0000e+00 1.0860e-01 3.9535e-04 -1.2313e-03 8.1729e-05 9.4960e-05 -6.0000e+00 8.2592e-03 2.4018e-03 0.0000e+00 10 0 0 10 0 0 98.93 22.95 0.21 0.00240 -0.00685 204 40 1 5 0 245.802 26.00 20.00 22.95 17.18 35.8 1016.10 -137984 -68390 -72024 -51726 -112873 77741 -105836 -101830 -38003 -97556 1076 -86103 25622 -65313 12111 -11884 1463 -32020 -27587 5231 -12597 16543 -30344 28739 -23495 9913 -16383 -6084 -2847 3300 935 -18950 12414 -6135 6435 -11285 7907 255 2534 1193 221 2694 435 3337 -3616 2558 -2676 2948 3870 3847 5446 1377 4525 -2421 3049 -71 312 -2348 3776 597 1390 657 792 2198 -556 2252 -1656 768 789 625 14 30 758 -48 1133 -958 903 -1453 -156 -787 -268 -1154 -963 -1322 -1153 -624 -944 245 -235 858 788 1360 962 1017 788 430 797 -241 15 -331 5 53 61 -251 -1143 -364 -714 1 -122 -33 -244 -130 71 278 554 701 428 -226 -260 -730 -104 -428 -3 177 -22 493 942 701 -28 183 16 299 109 -112 -257 -110 112 -288 -111 -96 -73 272 900000 -1250 -379 -430 -243 -939 199 -948 -999 -219 -1103 6 -1085 148 -1106 127 -171 21 -700 -619 89 -260 264 -771 475 -653 221 -440 -158 -75 87 30 -821 468 -284 260 -537 385 15 178 98 19 241 42 317 -377 258 -294 320 444 484 754 220 767 -472 592 -15 65 -497 739 122 303 162 220 653 -173 670 -519 252 275 245 6 13 310 -18 414 -329 297 -523 -64 -359 -140 -680 -611 -896 -832 -474 -747 194 -183 628 540 878 621 705 621 393 832 -282 19 -394 6 53 58 -248 -1211 -404 -845 1 -162 -48 -390 -214 115 431 813 1002 627 -350 -423 -1214 -169 -671 -4 257 -33 702 1332 1067 -45 330 32 617 238 -247 -602 -267 278 -722 -273 -227 -170 606 900000 SS 20241028T075116.1Z 9067.327269 220 1 50.11 2 78.65 131.18 48.79 169.92 0.00 1 0.00 1 0 25 1.949e-01 4.733e-03 1.424e-01 3.015e-03 6.026058e-01 1.635368e-03 7.613232e-03 -6.000000e+00 1.145496e-01 222.65 -2.00 3.88 -2.00 320.95 0.00e+00 2.402010e-03 5.994777e-04 6.121911e-04 -6.000000e+00 4.692496e-03 273.33 -2.00 20.00 -2.00 320.66 0.00e+00 4.911 0.003 302.00 328.00 3 1.9069e+00 4.8521e-03 5.9572e-02 -6.0000e+00 2.8334e-01 7.5356e-02 6.4310e-03 3.5332e-02 -6.0000e+00 3.0859e-01 -3.9120e-02 7.2869e-03 1.9821e-02 -6.0000e+00 1.8198e-01 4.6283e-03 3.7165e-03 6.6920e-03 -6.0000e+00 7.7196e-02 3.2188e-04 -1.1363e-03 9.5172e-05 8.8717e-05 -6.0000e+00 5.8711e-03 2.4238e-03 0.0000e+00 10 0 0 10 0 0 99.96 22.95 0.23 0.00242 -0.00611 176 35 1 5 0 284.647 26.00 20.00 22.95 17.38 35.7 1017.40 4020 -42933 -46851 -64006 -84899 7464 -99457 -65064 -52308 -54200 -81129 -38475 -47443 -10144 -9018 -19746 -13540 -25417 40120 -5936 29557 -8344 -8371 -20638 -4191 -8344 -9308 -20277 -5888 -820 -12406 8795 -14781 -619 -2870 5969 -2943 4785 -254 -1555 -7 -1656 2845 3617 -2376 1386 1027 4171 1364 2344 -1179 2119 1543 3507 -2098 987 623 2381 772 645 1989 270 1446 831 1245 1196 1586 1130 392 -301 -275 -275 39 -169 -1011 -303 -262 1370 -691 105 -392 -1686 -574 -1308 -574 -882 658 -190 112 417 774 874 497 951 419 1008 316 -172 -197 -144 -548 -69 428 -560 -386 -987 22 -451 -255 -148 -249 -101 -128 522 540 591 273 131 -357 -500 -256 -80 19 -109 188 639 917 197 427 1 128 202 149 -50 -347 56 7 -148 -244 -96 -77 280 900000 15 -262 -307 -478 -749 29 -1170 -618 -485 -552 -1107 -444 -707 -142 -142 -402 -290 -628 590 -135 515 -204 -220 -667 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