File name: Pandora21s1_Bremen_20230106_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T132204.5Z 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_20230106_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: 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]: 305.0633 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 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 1.405e-01 3.957e-03 2.833e-02 7.482e-04 5.929508e-01 3.961720e-04 7.502677e-03 -6.000000e+00 8.188178e-02 220.98 -2.00 3.88 -2.00 320.63 0.00e+00 1.890021e-03 1.351612e-04 5.207809e-04 -6.000000e+00 3.368978e-03 266.27 -2.00 20.00 -2.00 320.33 0.00e+00 4.210 0.002 302.00 328.00 3 2.2607e-01 1.1332e-03 5.3183e-02 -6.0000e+00 2.0179e-01 7.7013e-02 1.4544e-03 3.3782e-02 -6.0000e+00 2.2004e-01 -3.3683e-02 1.5957e-03 1.8758e-02 -6.0000e+00 1.2999e-01 3.5683e-04 8.2871e-04 6.2519e-03 -6.0000e+00 5.4923e-02 3.3332e-03 -8.2962e-04 2.2927e-05 7.9066e-05 -6.0000e+00 4.2084e-03 -2.8318e-02 5.8892e-05 10 0 0 10 0 0 99.74 22.23 0.22 -0.02832 -0.03455 1059 208 1 5 0 44.360 25.28 20.00 22.23 16.97 31.1 1017.42 -50793 -77010 -18514 -64584 -33263 -61206 -21763 -49220 -37242 -12546 -40823 -13613 -39247 -7329 -24358 -4295 -8968 -899 -7279 -3667 2816 -3589 2624 -5456 399 -8127 -3782 -6916 -3524 -5482 -3389 2276 -2324 400 -3180 248 -4888 433 -1084 -622 -874 -118 -586 -1000 1200 -1106 1207 -482 948 1120 907 1772 860 1471 285 815 -237 105 -295 665 856 1327 1823 683 751 365 1089 -167 1140 465 436 88 -265 -21 -74 489 -363 147 -321 -221 -528 -1011 -1392 -1280 -995 -938 -277 -164 512 198 718 727 852 833 638 589 605 699 -121 -163 -208 -276 244 222 -504 -815 -480 -509 -25 -112 -35 -215 -146 -52 116 497 448 516 70 -303 -526 -14 -211 -98 1 -67 606 783 510 73 126 -161 70 83 -112 -143 38 226 -286 -57 -105 -82 107 -350 -754 -120 -668 -238 -564 -143 -480 -366 -106 -490 -139 -578 -99 -490 -85 -213 -22 -190 -98 73 -101 72 -175 13 -310 -142 -265 -129 -214 -147 110 -127 23 -191 14 -316 31 -95 -65 -105 -15 -81 -144 172 -165 180 -75 151 188 167 359 181 334 70 208 -63 28 -78 170 223 369 564 238 280 137 398 -62 450 208 217 47 -142 -11 -36 212 -146 57 -134 -106 -296 -651 -997 -983 -810 -762 -236 -145 451 171 622 588 650 632 520 509 600 789 -151 -212 -260 -317 254 224 -532 -917 -567 -639 -34 -156 -53 -355 -245 -85 181 732 646 760 109 -495 -876 -23 -332 -148 1 -100 862 1112 781 117 223 -308 141 166 -237 -321 89 534 -684 -133 -235 -174 227 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 2.857e-01 1.207e-02 2.055e-01 7.750e-03 5.883108e-01 4.018078e-03 7.564047e-03 -6.000000e+00 1.666532e-01 220.98 -2.00 3.88 -2.00 319.65 0.00e+00 -1.067954e-04 1.082246e-03 3.653778e-04 -6.000000e+00 6.957001e-03 266.27 -2.00 20.00 -2.00 319.38 0.00e+00 4.125 0.002 302.00 328.00 3 5.2275e-01 1.1028e-02 5.2073e-02 -6.0000e+00 4.1069e-01 9.0268e-02 1.3043e-02 3.2677e-02 -6.0000e+00 4.4770e-01 -6.9103e-02 1.2177e-02 1.7302e-02 -6.0000e+00 2.6461e-01 2.1147e-02 6.5684e-03 5.4609e-03 -6.0000e+00 1.1227e-01 2.7088e-03 1.1275e-04 2.2442e-04 6.5390e-05 -6.0000e+00 8.6398e-03 -3.8269e-02 -8.9168e-05 12 9 9 12 9 1 47.15 22.23 0.19 -0.03827 -0.03742 3 127 1 5 0 74.709 25.28 20.00 22.23 17.59 31.0 1020.00 -110957 41055 -113224 900000 -86960 -77258 -2125 -68276 114367 -67538 150855 -21143 119538 -45062 12722 -4368 4737 28235 -9551 44056 -11951 28794 -16869 29888 -7671 2697 -18856 9157 18443 -11994 16815 -5387 18771 -3181 11455 -12789 13403 -230 -962 8537 -9821 4807 -8758 8249 -1776 4471 -3288 -1512 1175 -3563 9557 -3597 7001 -480 1442 659 3139 -1599 -508 4560 -692 3260 -2071 5149 -2117 3731 1111 2055 974 372 510 -1645 -331 -962 2733 -2770 -690 -1857 -1310 -273 130 393 -1145 -104 -1526 -853 -1596 -628 187 -390 171 929 982 551 1373 1249 1200 -676 543 -609 -1041 -760 -23 1770 -2074 1016 -1124 -910 -1018 241 -188 -754 761 -51 469 -193 1726 -569 448 -1202 204 509 501 814 -139 69 798 935 8 664 -501 -567 594 -104 825 -353 255 -1016 350 -331 -383 -482 447 -2683 310 -3455 900000 -2008 -1607 -24 -1560 864 -1878 1140 -460 903 -1720 354 -164 184 974 -490 1492 -680 1168 -1056 1339 -517 176 -1523 571 1044 -914 1108 -496 1581 -349 1110 -1522 1346 -30 -149 1432 -2171 1010 -2163 1809 -429 1037 -827 -381 299 -990 2556 -1172 2264 -177 551 264 1266 -675 -210 1780 -285 1375 -992 2537 -1160 1960 586 1083 547 230 340 -1165 -234 -665 1742 -1712 -394 -1052 -776 -178 94 312 -989 -94 -1446 -840 -1638 -656 195 -402 170 875 891 500 1298 1283 1348 -835 706 -814 -1365 -943 -27 2001 -2469 1234 -1431 -1200 -1408 351 -291 -1218 1233 -82 730 -292 2550 -864 696 -1941 330 813 783 1245 -209 101 1139 1332 12 1057 -850 -1003 1074 -194 1588 -706 518 -2107 722 -680 -765 -932 839 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 1.488e-01 6.736e-03 1.818e-01 5.454e-03 5.727184e-01 2.848391e-03 7.375005e-03 -6.000000e+00 8.668251e-02 220.98 -2.00 3.88 -2.00 320.20 0.00e+00 2.580086e-03 8.800757e-04 4.195662e-04 -6.000000e+00 3.567039e-03 266.27 -2.00 20.00 -2.00 319.92 0.00e+00 4.084 0.001 302.00 328.00 3 3.2912e+00 7.9885e-03 5.1430e-02 -6.0000e+00 2.1362e-01 1.1462e-01 9.7866e-03 3.2316e-02 -6.0000e+00 2.3297e-01 -4.9892e-02 9.9548e-03 1.7416e-02 -6.0000e+00 1.3764e-01 7.0747e-03 5.2727e-03 5.6128e-03 -6.0000e+00 5.8130e-02 1.7495e-04 -1.2456e-03 1.6341e-04 7.1059e-05 -6.0000e+00 4.4569e-03 -2.7126e-02 -1.4414e-05 12 9 1 12 1 1 99.94 22.22 0.13 -0.02713 -0.03649 11 9 1 5 0 1042.043 25.28 20.00 22.22 17.81 31.3 1020.89 -33917 61311 -52274 -65559 -35782 -21925 60769 -22127 9222 -67702 -22596 -14967 -30441 -6066 -34170 -21221 -37615 -420 -12930 -9620 -11422 -3775 -1779 7885 11087 -9841 16408 -18707 6486 -25329 10233 6585 -8453 -4862 14654 4275 -6745 -4571 -6523 -653 -1358 6783 1043 -2945 2398 3147 -1570 431 3512 -2632 6004 -1658 5979 -592 2253 4569 -1034 89 -302 -1210 -2374 887 2644 1892 2254 585 1212 -1604 3249 37 -731 -1361 463 -767 478 575 1445 1836 -799 -1092 -679 -527 -2119 -695 -1210 -534 -595 613 -475 229 1070 766 653 -302 813 1026 796 262 -1022 -211 152 -219 -540 682 -560 -394 -537 -542 -74 -236 -3 45 -18 -488 -153 760 677 216 407 -268 -572 -164 7 603 -278 -134 688 160 118 359 793 -278 435 -36 -238 -190 152 215 -235 -175 -127 11 -226 -315 326 -708 -995 -403 -214 323 -249 88 -1342 -323 -220 -601 -119 -1033 -672 -1543 -14 -502 -382 -476 -149 -71 308 451 -508 687 -1060 291 -1569 517 397 -664 -399 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