File name: Pandora21s1_Bremen_20231101_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T154934.3Z 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 v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20231101_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: 20231101 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 20231101T125447.0Z 8705.538044 467 1 18.33 2 71.30 207.25 97.72 340.75 0.00 1 0.00 1 0 25 3.082e-02 6.479e-03 3.135e-02 3.305e-03 3.978071e-01 1.703087e-03 5.323136e-03 -6.000000e+00 1.807556e-02 222.28 -2.00 3.88 -2.00 318.99 0.00e+00 8.350341e-04 3.679883e-04 1.753793e-04 -6.000000e+00 7.421044e-04 272.86 -2.00 20.00 -2.00 318.70 0.00e+00 3.081 0.001 302.00 328.00 3 3.9345e+00 4.5816e-03 3.7738e-02 -6.0000e+00 4.4672e-02 3.7140e-02 5.2192e-03 2.2380e-02 -6.0000e+00 4.8677e-02 -9.6133e-03 4.0530e-03 1.1522e-02 -6.0000e+00 2.8714e-02 2.5675e-04 2.1941e-03 3.5046e-03 -6.0000e+00 1.2181e-02 3.0369e-04 -8.2531e-04 1.0284e-04 4.3629e-05 -6.0000e+00 9.2848e-04 7.3349e-03 0.0000e+00 12 9 1 12 1 1 99.91 22.17 0.17 0.00733 0.00113 15 9 1 5 0 1144.889 25.28 20.00 22.17 20.71 33.9 1017.46 -14237 6072 -10627 9852 -5267 -2186 4686 -4802 -6140 -5870 11069 306 8869 -8518 1591 -10386 -4140 1528 -5225 2389 -7621 2463 -2411 354 -786 -599 3229 1316 2035 -181 4634 -2728 2323 -2061 1983 -1909 -3500 -1267 -3260 -3749 -1650 -29 -2122 738 -1638 93 -167 587 -193 859 2413 567 2531 -25 923 681 1095 1278 1486 1889 1196 1854 -207 466 606 823 192 1553 726 -353 -489 -748 440 -468 213 -647 1187 753 -331 -551 -1210 -1495 -1667 -479 -994 -371 -812 -26 -309 427 487 307 1736 1256 1155 590 455 -124 -167 -287 -619 289 189 -1048 -1183 -363 -360 272 -36 -158 -107 -293 126 35 574 130 820 3 -83 -964 -424 -298 -307 412 217 1148 1447 800 137 564 -115 242 298 56 58 -372 171 -477 -41 -235 -209 -231 900000 -485 185 -377 275 -160 -66 145 -181 -253 -251 426 15 456 -605 118 -946 -381 141 -538 237 -839 252 -272 41 -98 -76 389 156 238 -23 624 -436 377 -347 315 -329 -696 -292 -897 -1162 -538 -10 -743 254 -581 32 -58 205 -70 322 960 246 1144 -12 457 346 558 643 739 950 638 1064 -130 302 386 502 116 960 494 -264 -386 -599 342 -348 146 -413 715 467 -227 -422 -1025 -1365 -1604 -479 -1051 -408 -925 -29 -349 460 494 295 1601 1197 1188 668 561 -163 -225 -378 -771 338 218 -1264 -1500 -476 -489 385 -53 -249 -174 -479 200 53 831 184 1176 5 -129 -1550 -678 -468 -472 612 312 1592 1979 1136 207 900 -191 412 521 101 110 -721 335 -947 -80 -452 -391 -421 900000 SS 20231101T133937.6Z 8705.569186 493 1 10.29 2 74.94 217.94 99.31 350.22 0.00 1 0.00 1 0 25 1.645e-01 1.425e-02 1.724e-01 1.114e-02 4.840415e-01 5.839718e-03 6.397522e-03 -6.000000e+00 9.714216e-02 222.27 -2.00 3.88 -2.00 319.72 0.00e+00 1.645931e-03 1.564278e-03 2.785812e-04 -6.000000e+00 4.069514e-03 272.86 -2.00 20.00 -2.00 319.44 0.00e+00 3.775 0.001 302.00 328.00 3 4.5513e+00 1.6088e-02 4.6189e-02 -6.0000e+00 2.4001e-01 1.0397e-01 1.8875e-02 2.7439e-02 -6.0000e+00 2.6164e-01 -6.5519e-02 1.6900e-02 1.4378e-02 -6.0000e+00 1.5382e-01 2.3056e-02 9.0873e-03 4.4807e-03 -6.0000e+00 6.5115e-02 7.4504e-05 -8.3565e-04 3.4572e-04 5.7090e-05 -6.0000e+00 4.9793e-03 6.4213e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.18 0.19 0.00642 0.00014 2 3 1 5 0 3425.740 25.28 19.99 22.18 20.88 34.1 1017.38 -4243 -27487 -1267 -83050 26186 900000 -95701 245 -46923 51547 -55354 900000 -37892 32690 -27698 17444 -5694 -6691 25279 -14578 19929 -23949 465 -7763 12382 -26448 15444 19685 -16375 9511 -3146 40291 2060 18215 -10974 5670 8802 -12233 -15 -4270 11482 -2170 5555 -2207 7321 -7668 11364 -1631 2836 6417 1949 -802 -2807 7231 -4594 7242 -1397 2475 552 2982 3932 -2111 3637 -1446 4904 1598 4071 1084 1150 -657 1238 850 -2795 -1297 -3110 -206 159 -1639 -2048 -2216 -1715 -3083 13 -3452 1565 207 1542 -597 -279 -1756 356 1126 -1000 1361 667 1255 879 -86 -440 744 -423 -1983 293 -1670 -758 -2258 845 -669 884 816 -1 276 1050 1646 -393 -448 168 474 -1872 -330 -131 -148 691 803 -115 553 805 493 2183 -791 772 -270 473 -615 -896 -436 616 -13 -1057 437 -267 255 900000 -70 -600 -22 -2832 326 900000 -3893 5 -1489 722 -2112 900000 -1688 926 -1569 731 -318 -403 1195 -1026 1034 -1896 31 -598 837 -2616 1022 1220 -1432 710 -300 2886 226 1722 -1337 621 1065 -2140 -3 -923 2315 -521 1278 -552 1697 -2064 2583 -427 736 1715 590 -270 -1028 2545 -1868 2714 -570 963 216 1155 1603 -993 1772 -775 2465 800 1976 567 663 -422 827 576 -1905 -824 -1852 -111 82 -893 -1243 -1525 -1308 -2580 11 -3223 1480 208 1579 -628 -288 -1755 330 980 -868 1208 651 1350 1046 -110 -582 951 -513 -2279 323 -1939 -919 -2887 1100 -928 1290 1271 -2 455 1683 2517 -584 -653 248 723 -3022 -538 -212 -234 1060 1194 -167 774 1116 715 3357 -1325 1337 -487 875 -1191 -1810 -901 1286 -27 -2224 887 -524 486 900000 SS 20231101T134414.0Z 8705.572385 496 1 50.29 2 75.37 219.01 99.42 351.21 0.00 1 0.00 1 0 25 7.180e-02 5.038e-03 4.071e-02 1.660e-03 4.995863e-01 8.747795e-04 6.492734e-03 -6.000000e+00 4.211133e-02 222.27 -2.00 3.88 -2.00 320.20 0.00e+00 1.165400e-03 2.649063e-04 3.516402e-04 -6.000000e+00 1.728765e-03 272.86 -2.00 20.00 -2.00 319.91 0.00e+00 3.879 0.001 302.00 328.00 3 2.2413e+00 2.4540e-03 4.7584e-02 -6.0000e+00 1.0407e-01 3.2726e-02 2.9776e-03 2.8496e-02 -6.0000e+00 1.1340e-01 -4.1398e-03 2.9642e-03 1.5283e-02 -6.0000e+00 6.6894e-02 -8.3872e-03 1.5728e-03 4.9110e-03 -6.0000e+00 2.8380e-02 6.8806e-04 -8.6766e-04 5.2260e-05 6.2673e-05 -6.0000e+00 2.1629e-03 6.8156e-03 0.0000e+00 10 0 0 10 0 0 89.77 22.18 0.17 0.00682 0.00030 183 36 1 5 0 274.739 25.39 20.00 22.18 20.87 34.1 1017.45 -5839 -45515 -177 -35037 9520 -29723 191 -14833 -22010 -7215 -31514 2651 -14792 -8232 -16040 3016 -2724 3404 6339 -5895 5520 -662 -277 -7146 171 -6542 -337 -365 -1909 -2615 -1162 2542 -3492 2511 -3402 -336 -3263 -1169 -588 -1942 -909 -2497 594 -2542 849 -336 164 39 1456 859 -275 809 -310 1508 -369 1451 -391 722 772 1115 1501 1207 1148 313 1121 680 957 913 711 -195 273 -257 305 -45 -483 675 -392 853 -740 -346 -834 -1253 -897 -1032 -921 -776 -92 -199 172 300 801 1080 1267 1084 752 1061 465 -82 -678 -34 -433 118 279 -619 -916 -770 -453 -194 94 -113 -140 -89 99 370 683 778 329 215 -682 -712 -394 -335 -331 104 142 614 1386 575 571 200 149 127 120 -160 -116 -198 6 -323 -232 -31 -75 243 900000 -58 -704 -2 -497 88 -393 2 -215 -356 -113 -643 45 -366 -222 -555 98 -102 130 249 -259 231 -29 -13 -384 9 -383 -18 -19 -104 -158 -80 191 -303 206 -292 -29 -340 -137 -82 -315 -159 -468 111 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