File name: Pandora21s1_Bremen_20230106_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T202001.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 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_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20230106_L1_smca1c6d20211128p1-8.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: 20230106 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]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20230106T103320.1Z 8406.439816 383 1 49.34 2 76.59 166.45 100.12 352.39 0.00 1 0.00 1 0 25 1.484e-01 4.000e-03 2.714e-02 7.479e-04 5.929807e-01 3.959690e-04 7.505359e-03 -6.000000e+00 8.647977e-02 220.98 -2.00 3.88 -2.00 320.62 0.00e+00 1.931621e-03 1.349986e-04 5.198817e-04 -6.000000e+00 3.556979e-03 266.27 -2.00 20.00 -2.00 320.33 0.00e+00 4.210 0.002 302.00 328.00 3 9.7193e-02 1.1325e-03 5.3184e-02 -6.0000e+00 2.1313e-01 7.8593e-02 1.4523e-03 3.3780e-02 -6.0000e+00 2.3240e-01 -3.6874e-02 1.5910e-03 1.8750e-02 -6.0000e+00 1.3729e-01 2.0845e-03 8.2646e-04 6.2477e-03 -6.0000e+00 5.8034e-02 3.7912e-03 -8.5373e-04 2.2941e-05 7.9054e-05 -6.0000e+00 4.4448e-03 -8.0875e-03 0.0000e+00 10 0 0 10 0 0 99.74 22.23 0.21 -0.00809 -0.01450 1059 208 1 5 0 44.360 25.28 20.00 22.23 16.97 31.1 1017.42 -54167 -78924 -23156 -67472 -37894 -64373 -26254 -51739 -39878 -16067 -43016 -16048 -40031 -7877 -24599 -4789 -9363 -1369 -7667 -4108 2214 -4141 2145 -5712 97 -8277 -4257 -7461 -4003 -5674 -3287 2444 -2184 325 -3421 184 -4766 825 -684 -286 -650 13 -510 -974 1213 -1089 1224 -435 988 1208 1094 1962 998 1603 351 852 -241 43 -388 618 874 1415 1947 781 770 310 1042 -159 1217 575 503 100 -319 -113 -212 344 -476 102 -292 -151 -460 -966 -1371 -1275 -986 -932 -282 -176 479 151 663 672 806 815 642 610 626 718 -108 -168 -224 -295 225 215 -505 -815 -486 -513 -26 -113 -34 -211 -140 -41 128 507 456 520 71 -297 -515 4 -193 -82 20 -50 624 779 488 49 109 -168 65 72 -124 -156 31 221 -286 -47 -92 -70 103 -395 -801 -160 -725 -286 -619 -183 -525 -407 -142 -533 -170 -603 -109 -504 -97 -226 -34 -202 -111 58 -118 59 -185 3 -318 -161 -288 -148 -223 -144 119 -120 19 -207 11 -310 59 -60 -30 -78 2 -71 -140 174 -163 183 -68 158 204 201 398 210 364 86 217 -64 11 -102 158 227 393 602 273 287 117 381 -59 481 258 251 53 -172 -58 -102 149 -191 40 -122 -72 -258 -622 -982 -979 -803 -757 -240 -155 423 130 575 543 616 619 523 527 622 809 -136 -217 -280 -339 235 216 -533 -917 -575 -644 -35 -157 -53 -348 -235 -67 200 748 657 765 110 -486 -858 7 -303 -123 30 -74 887 1105 746 79 195 -322 131 144 -264 -350 72 523 -684 -110 -206 -148 219 SS 20230106T104226.6Z 8406.446142 386 1 0.48 2 76.30 168.59 100.27 354.36 0.00 1 0.00 1 0 17 3.871e-01 1.243e-02 2.093e-01 7.772e-03 5.879461e-01 4.015610e-03 7.523609e-03 -6.000000e+00 2.259088e-01 220.98 -2.00 3.88 -2.00 319.64 0.00e+00 -5.524219e-05 1.077930e-03 3.667356e-04 -6.000000e+00 9.285878e-03 266.27 -2.00 20.00 -2.00 319.37 0.00e+00 4.125 0.002 302.00 328.00 3 3.9397e-01 1.1017e-02 5.2010e-02 -6.0000e+00 5.5675e-01 9.3579e-02 1.3012e-02 3.2561e-02 -6.0000e+00 6.0680e-01 -7.5608e-02 1.2072e-02 1.7237e-02 -6.0000e+00 3.5847e-01 2.4457e-02 6.5108e-03 5.4465e-03 -6.0000e+00 1.5176e-01 3.0823e-03 6.8684e-04 2.2434e-04 6.4673e-05 -6.0000e+00 1.1593e-02 -1.8275e-02 0.0000e+00 12 9 9 12 9 1 47.15 22.23 0.17 -0.01828 -0.01311 3 127 1 5 0 74.709 25.28 20.00 22.23 17.59 31.0 1020.00 -112976 24625 -114703 330550 -90381 -81227 -11831 -71455 88965 -69957 120125 -24970 102680 -45947 10351 -5586 3477 26422 -10162 41969 -12503 27226 -17240 28655 -8013 2171 -19150 8310 17420 -12306 16325 -5364 18558 -3220 11137 -12836 13263 -43 -659 8797 -9508 5006 -8537 8366 -1632 4583 -3153 -1380 1303 -3400 9710 -3397 7158 -320 1567 762 3204 -1565 -503 4558 -656 3331 -1968 5230 -2062 3735 1109 2061 1006 415 539 -1636 -348 -1001 2672 -2842 -767 -1920 -1350 -293 116 379 -1164 -128 -1547 -873 -1615 -646 168 -410 147 899 945 510 1331 1212 1170 -699 526 -620 -1047 -764 -30 1758 -2084 1009 -1126 -911 -1019 240 -187 -748 771 -38 482 -183 1729 -568 452 -1191 225 537 531 844 -110 96 823 949 13 667 -495 -561 597 -104 822 -357 250 -1022 343 -339 -393 -496 426 -2892 218 -3659 2505 -2215 -1806 -153 -1734 674 -2043 910 -579 916 -1817 303 -218 140 948 -536 1479 -729 1141 -1102 1323 -551 145 -1573 530 1010 -955 1098 -501 1589 -358 1095 -1546 1350 -6 -103 1490 -2118 1060 -2123 1848 -397 1070 -798 -350 334 -951 2614 -1113 2328 -118 602 306 1299 -664 -209 1789 -271 1413 -948 2589 -1136 1971 587 1092 567 257 361 -1163 -246 -694 1710 -1764 -440 -1092 -803 -191 85 302 -1008 -116 -1472 -863 -1663 -678 176 -425 146 850 861 464 1264 1250 1320 -865 687 -831 -1377 -951 -35 1994 -2490 1230 -1439 -1206 -1414 350 -291 -1213 1253 -62 752 -278 2564 -865 704 -1928 366 860 833 1295 -166 141 1178 1357 19 1066 -844 -996 1084 -195 1587 -717 511 -2126 710 -698 -788 -964 801 SS 20230106T104738.7Z 8406.449754 390 1 12.69 2 76.15 169.82 100.34 355.49 0.00 1 0.00 1 0 25 1.523e-01 6.664e-03 1.861e-01 5.455e-03 5.729527e-01 2.849015e-03 7.358742e-03 -6.000000e+00 8.873082e-02 220.98 -2.00 3.88 -2.00 320.20 0.00e+00 2.514739e-03 8.813923e-04 4.235582e-04 -6.000000e+00 3.649742e-03 266.27 -2.00 20.00 -2.00 319.92 0.00e+00 4.084 0.001 302.00 328.00 3 3.1635e+00 7.9903e-03 5.1423e-02 -6.0000e+00 2.1867e-01 1.1161e-01 9.7982e-03 3.2306e-02 -6.0000e+00 2.3846e-01 -4.5628e-02 9.9967e-03 1.7433e-02 -6.0000e+00 1.4087e-01 5.2135e-03 5.2944e-03 5.6299e-03 -6.0000e+00 5.9539e-02 1.9885e-04 -9.3429e-04 1.6346e-04 7.0858e-05 -6.0000e+00 4.5612e-03 -7.2707e-03 0.0000e+00 12 9 1 12 1 1 99.94 22.22 0.14 -0.00727 -0.01429 11 9 1 5 0 1042.043 25.28 20.00 22.22 17.81 31.3 1020.89 -28888 73428 -50080 -64135 -32953 -17889 72149 -18391 13977 -66372 -20072 -12236 -28470 -4066 -33208 -20493 -37371 96 -12721 -9460 -11367 -3640 -1500 8323 11510 -9690 16690 -18757 6740 -25162 10727 6937 -8357 -4951 14552 4249 -6640 -4350 -6325 -532 -1347 6737 939 -3099 2245 2994 -1731 296 3408 -2706 5995 -1678 5949 -645 2185 4506 -1109 -5 -401 -1284 -2405 909 2678 1896 2199 485 1135 -1628 3286 89 -709 -1373 421 -830 404 505 1411 1854 -740 -1015 -616 -481 -2090 -675 -1186 -513 -580 617 -482 214 1052 755 657 -280 849 1062 824 282 -1012 -211 148 -222 -538 688 -555 -391 -535 -543 -77 -240 -8 43 -15 -479 -140 773 684 215 402 -274 -575 -165 7 602 -277 -133 688 148 94 333 772 -293 423 -49 -250 -199 149 216 -230 -162 -110 29 -212 -253 391 -654 -943 -354 -165 384 -198 126 -1285 -277 -174 -549 -78 -990 -640 -1518 3 -489 -372 -469 -142 -59 321 463 -497 692 -1056 300 -1549 537 416 -654 -405 998 317 -581 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