File name: Pandora133s1_Heidelberg_20240921_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T110312.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora133_OF_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240921_L1_smca1c3d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20240921 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.0728 305.2141 305.3553 305.4966 305.6378 305.7790 305.9202 306.0614 306.2026 306.3438 306.4849 306.6261 306.7672 306.9083 307.0494 307.1905 307.3316 307.4727 307.6138 307.7548 307.8959 308.0369 308.1779 308.3189 308.4599 308.6009 308.7418 308.8828 309.0238 309.1647 309.3056 309.4465 309.5874 309.7283 309.8692 310.0100 310.1509 310.2917 310.4326 310.5734 310.7142 310.8550 310.9958 311.1365 311.2773 311.4180 311.5588 311.6995 311.8402 311.9809 312.1216 312.2623 312.4029 312.5436 312.6842 312.8249 312.9655 313.1061 313.2467 313.3872 313.5278 313.6684 313.8089 313.9494 314.0900 314.2305 314.3710 314.5115 314.6519 314.7924 314.9328 315.0733 315.2137 315.3541 315.4945 315.6349 315.7753 315.9157 316.0560 316.1964 316.3367 316.4770 316.6173 316.7576 316.8979 317.0382 317.1784 317.3187 317.4589 317.5991 317.7393 317.8795 318.0197 318.1599 318.3001 318.4402 318.5804 318.7205 318.8606 319.0007 319.1408 319.2809 319.4209 319.5610 319.7010 319.8411 319.9811 320.1211 320.2611 320.4011 320.5410 320.6810 320.8209 320.9609 321.1008 321.2407 321.3806 321.5205 321.6604 321.8002 321.9401 322.0799 322.2198 322.3596 322.4994 322.6392 322.7789 322.9187 323.0585 323.1982 323.3379 323.4776 323.6173 323.7570 323.8967 324.0364 324.1760 324.3157 324.4553 324.5949 324.7346 324.8741 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20240921T055550.4Z 9030.247111 196 1 47.61 2 83.54 96.83 56.66 258.52 0.00 1 0.00 1 0 25 5.277e-01 3.216e-02 3.340e-01 1.402e-02 8.340534e-01 8.325723e-03 9.882298e-03 -6.000000e+00 3.137122e-01 227.90 -2.00 3.74 -2.00 322.17 0.00e+00 -6.570649e-03 4.573622e-03 9.654630e-03 -6.000000e+00 1.563789e-02 280.30 -2.00 20.00 -2.00 321.71 0.00e+00 8.039 0.011 302.00 328.00 3 1.6072e+00 3.2086e-02 1.0761e-01 -6.0000e+00 7.8054e-01 9.9751e-01 4.1794e-02 8.8055e-02 -6.0000e+00 8.5113e-01 -1.4111e+00 3.6062e-02 3.6176e-02 -6.0000e+00 5.0065e-01 5.6902e-01 1.7211e-02 8.3497e-03 -6.0000e+00 2.1239e-01 1.9060e-05 2.2605e-03 4.2379e-04 1.5558e-04 -6.0000e+00 1.5249e-02 2.4162e-02 0.0000e+00 12 8 8 10 0 0 34.71 22.55 0.61 0.02416 0.04115 48 13 4 8 0 991.700 20.01 22.55 19.18 26.41 26.62 1.8 865.37 119199 41871 900000 -47099 1778 900000 900000 -63248 122447 -59738 900000 -43688 900000 -3205 63236 -21599 900000 -23539 126202 -12250 900000 -97164 -24514 -37893 900000 -73268 900000 15522 37882 -57895 900000 -44507 900000 17561 140761 -25972 78100 -28961 900000 -7895 108276 5065 223530 -9495 216061 56228 56096 -26667 145581 1752 136744 32520 74898 20986 151284 26136 138279 13945 64877 -3668 56101 -10427 29257 2361 48542 14211 38934 3223 34363 15305 25370 17167 40101 910 29703 -2044 17745 -15198 -2322 -1885 -1010 11657 3644 -5863 523 -1692 6050 1320 4449 -9251 55061 -3646 -2224 -7632 5693 -6321 1433 -303 -652 -3726 -1142 -6385 426 -6444 -4860 -11418 1894 -2448 525 -2720 -115 -2304 -103 -1473 -1628 34 -826 902 726 528 2273 3883 4999 876 1685 1824 2185 1574 503 248 -410 66 -376 244 -98 955 1236 -535 406 -493 -1952 -1630 1626 571 900000 -1226 24 900000 900000 -1882 1670 -1852 900000 -1300 900000 -87 1019 -884 900000 -1051 1721 -471 900000 -7952 -1034 -1973 900000 -5633 900000 404 752 -3302 900000 -2925 900000 653 1920 -1385 1811 -2119 900000 -646 3249 396 3049 -812 2947 2608 2602 -2645 2979 165 3730 2750 4495 2319 4746 2959 5093 1693 4425 -480 4209 -1692 3631 419 5429 2210 4886 624 5578 3382 5364 3934 6892 210 4538 -390 2759 -3607 -577 -555 -344 3959 1310 -2472 221 -768 2618 603 1914 -4279 13819 -1602 -995 -4049 3106 -4162 1022 -247 -552 -3118 -851 -4497 297 -4651 -3688 -9797 1543 -2310 550 -3369 -154 -3260 -141 -1992 -2128 44 -1119 1273 1073 778 3156 5108 6310 1112 2066 2398 2971 2235 835 465 -849 146 -891 620 -265 2627 3445 -1517 1093 -1247 -4677 -3710 SS 20240921T060214.1Z 9030.251552 199 1 47.31 2 82.51 98.06 57.64 259.84 0.00 1 0.00 1 0 25 5.719e-01 1.431e-02 3.760e-01 6.968e-03 7.771378e-01 3.924083e-03 1.043385e-02 -6.000000e+00 3.322520e-01 227.90 -2.00 3.74 -2.00 321.98 0.00e+00 4.731790e-03 2.305729e-03 1.160860e-02 -6.000000e+00 1.451799e-02 280.30 -2.00 20.00 -2.00 321.52 0.00e+00 7.105 0.007 302.00 328.00 3 1.5065e+00 1.5440e-02 9.9709e-02 -6.0000e+00 8.2686e-01 2.5272e-01 2.3433e-02 8.2889e-02 -6.0000e+00 8.9694e-01 -4.0862e-01 2.5193e-02 4.3338e-02 -6.0000e+00 5.3143e-01 1.6408e-01 1.1374e-02 1.2596e-02 -6.0000e+00 2.2778e-01 5.8108e-05 2.7691e-03 2.0469e-04 3.2428e-04 -6.0000e+00 1.5810e-02 2.2997e-02 0.0000e+00 12 8 8 10 0 0 -8.65 22.55 0.44 0.02300 0.04381 98 26 4 8 0 482.590 19.99 22.55 19.49 26.41 26.62 1.7 867.40 -139901 900000 -183763 -171503 -299806 -187367 900000 -116398 -197990 -141089 -143765 -111242 27557 -99208 -120487 -42715 -30331 89989 -111333 8662 -66003 -100738 -86285 -54369 -39182 -72097 -72637 53198 -33705 -20387 -27138 -9032 -47319 67713 -37665 90451 -81392 -15026 -15268 3826 1557 -6515 10837 22284 13550 40699 -12147 35125 -2769 19222 11481 28164 2208 16187 17481 14371 7200 10261 9907 10229 1607 1386 -4117 9010 5595 17313 7089 2610 3587 7943 4265 6013 3768 2858 785 -544 -13098 -2479 -5144 1591 -1399 2210 -2318 1703 -468 1487 -1326 3075 623 -807 12636 -1356 -3338 -2373 -1969 -1112 1840 446 1703 -1230 -2664 -4007 -979 -2428 -2482 -3553 -471 -476 254 283 1338 -577 329 -328 -1513 -718 -478 89 963 122 1103 1659 1534 288 540 -734 664 548 240 145 -342 53 -629 -230 -31 278 954 112 271 -315 -425 -916 -950 900000 -1248 -1165 -5553 -1273 900000 -791 -1834 -958 -976 -756 187 -858 -1637 -316 -247 611 -2200 59 -941 -1866 -1492 -812 -532 -1420 -1431 361 -458 -291 -516 -172 -1510 690 -1049 737 -3870 -490 -612 148 68 -327 478 893 607 1437 -759 1455 -181 1123 827 1913 214 1484 1662 1464 797 1073 1009 1049 194 192 -635 1352 881 2657 1138 475 746 1795 1066 1489 910 639 176 -114 -3123 -589 -1372 475 -503 866 -1022 771 -232 764 -726 1631 331 -409 5251 -627 -1616 -1273 -1236 -816 1536 425 1650 -1174 -2353 -3218 -736 -1970 -2148 -3289 -457 -510 307 388 1985 -898 501 -484 -2169 -1022 -709 139 1558 198 1707 2459 2204 403 732 -981 906 851 430 292 -753 113 -1446 -567 -80 742 2575 305 712 -778 -1078 -2237 SS 20240921T061505.6Z 9030.260481 202 1 48.91 2 80.44 100.56 59.61 262.42 0.00 1 0.00 1 0 25 4.010e-01 8.139e-03 1.772e-01 2.388e-03 6.572812e-01 1.300124e-03 8.556802e-03 -6.000000e+00 2.313545e-01 227.90 -2.00 3.74 -2.00 321.44 0.00e+00 3.674692e-03 6.621923e-04 6.883704e-03 -6.000000e+00 1.005676e-02 280.30 -2.00 20.00 -2.00 320.93 0.00e+00 5.740 0.004 302.00 328.00 3 1.2294e+00 4.5893e-03 7.3990e-02 -6.0000e+00 5.7547e-01 1.2615e-02 6.5275e-03 5.4145e-02 -6.0000e+00 6.2387e-01 -7.4477e-02 6.9364e-03 2.9971e-02 -6.0000e+00 3.7093e-01 2.3510e-02 3.2560e-03 9.5391e-03 -6.0000e+00 1.5871e-01 3.1023e-04 2.9297e-03 7.0350e-05 1.9798e-04 -6.0000e+00 1.0953e-02 2.3337e-02 0.0000e+00 11 8 0 10 0 0 6.32 22.53 0.19 0.02334 0.04535 267 71 4 8 0 177.800 19.99 22.53 20.35 26.41 26.62 1.7 873.44 -55380 -105719 -25822 -188336 -176609 -177447 -120338 -45679 -95047 -144045 -84391 -110774 -47818 -77777 -41579 -83153 -31709 -56150 -36991 -44505 -20914 -65552 -49460 -36017 -3814 -34850 -14857 -23824 -28125 -23684 -1780 -8836 -189 -7721 -19735 -17819 -21394 -14114 1514 -521 -1189 -3379 1132 172 6427 5253 -735 -1690 2222 4754 2972 3460 3460 1651 4730 2654 3366 3087 1651 1202 2652 3183 4407 4620 2247 2173 1093 975 3225 2337 2187 1603 926 1209 346 -1976 -4652 -3120 -2452 -1594 -1679 -537 -2120 -1064 -470 358 641 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