File name: Pandora159s1_Wakkerstroom_20230706_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20230708T234308.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20230706_L1_smca1c3d20201207p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20230706 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: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°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 20230706T052442.5Z 8587.225492 208 1 48.01 2 83.99 60.56 64.22 262.01 0.00 1 0.00 1 0 25 7.064e-01 6.229e-02 4.939e-01 4.759e-02 9.562103e-01 2.822233e-02 9.683232e-03 -6.000000e+00 4.175098e-01 225.22 -2.00 3.06 -2.00 322.02 0.00e+00 -1.111969e-02 1.244995e-02 2.937802e-03 -6.000000e+00 2.132753e-02 276.94 -2.00 20.00 -2.00 321.54 0.00e+00 8.565 0.004 302.00 328.00 3 2.4845e+00 9.7783e-02 8.1824e-02 -6.0000e+00 1.0297e+00 1.4870e+00 1.1599e-01 4.3091e-02 -6.0000e+00 1.1260e+00 -1.7664e+00 7.8201e-02 2.2762e-02 -6.0000e+00 6.6750e-01 6.8579e-01 4.0997e-02 1.0438e-02 -6.0000e+00 2.8459e-01 1.2843e-05 -1.3027e-03 1.3010e-03 1.8798e-04 -6.0000e+00 2.0897e-02 3.1386e-03 12 8 8 10 0 0 99.31 18.61 1.25 0.00314 -0.00665 12 3 4 8 0 4000.000 15.00 18.61 7.83 21.06 20.96 24.5 805.57 -85509 37003 -48808 900000 -64656 900000 -16759 900000 52474 -55649 900000 5440 900000 10718 900000 -5018 472492 145399 900000 92022 -18443 156451 900000 900000 -45364 900000 49378 900000 30954 900000 101306 146557 -24303 15132 208588 900000 900000 -39166 900000 -50472 900000 2873 207525 -2467 900000 18180 42717 106725 900000 208238 17464 61209 10602 101534 -28089 900000 3332 66045 53055 130120 47541 -44294 900000 -5272 127209 -4682 119315 -6750 10120 55996 61852 14561 39200 53335 21812 -3095 6926 46675 25130 23605 -5243 10494 -13809 15410 -21353 24211 -12191 14827 3696 9195 -3372 2539 23296 -3597 -815 -4072 2225 -8478 4801 -4167 2770 -8188 -373 250 -12705 15039 -15820 18252 -5636 -1602 -7715 2170 84 2795 756 -4840 3429 -1217 5335 -5266 5236 -48 7668 -3646 4034 -254 2440 8505 710 4085 -2043 654 -4333 5077 -1256 5050 -4862 1991 -1091 1138 -575 -1759 -1144 -9361 1710 -3550 900000 -3828 900000 -775 900000 2425 -3457 900000 251 900000 495 900000 -325 21837 6720 900000 4253 -1264 7231 900000 900000 -4512 900000 2282 900000 1431 900000 4682 6773 -2143 921 9640 900000 900000 -4209 900000 -8505 900000 324 9591 -274 900000 1484 2686 4932 900000 9624 1741 4426 1356 5774 -5931 900000 546 5684 4767 6014 4050 -9762 900000 -1011 7122 -930 7173 -1446 2058 8333 9414 3573 7309 7918 3876 -617 1175 5610 4267 4862 -1687 3353 -6151 5482 -11436 8770 -6500 6156 1679 3765 -1455 983 7359 -1590 -405 -2471 1491 -7266 3984 -3792 2205 -6433 -243 160 -9859 9425 -14145 12711 -5580 -1767 -10342 2893 118 3788 1011 -6630 4364 -1696 7332 -8213 7126 -65 9163 -4743 4731 -300 2752 9657 1018 6604 -3938 1335 -9919 11438 -3225 12771 -13695 5306 -2943 2844 -1343 -3812 -2346 SS 20230706T060420.2Z 8587.253012 225 1 1.45 2 76.53 55.20 72.68 258.37 0.00 1 0.00 1 0 25 3.664e-01 1.515e-02 2.079e-01 1.199e-02 5.218225e-01 6.101219e-03 5.289981e-03 -6.000000e+00 2.081563e-01 225.22 -2.00 3.06 -2.00 319.68 0.00e+00 4.339911e-03 1.818476e-03 2.500276e-04 -6.000000e+00 9.482606e-03 276.94 -2.00 20.00 -2.00 319.11 0.00e+00 4.195 0.000 302.00 328.00 3 2.4407e+00 1.7256e-02 4.1313e-02 -6.0000e+00 5.1477e-01 2.5175e-02 2.0646e-02 2.3842e-02 -6.0000e+00 5.6173e-01 -2.4724e-02 1.8037e-02 1.2613e-02 -6.0000e+00 3.3220e-01 1.0267e-02 9.4964e-03 6.1673e-03 -6.0000e+00 1.4264e-01 8.0342e-04 -2.0306e-04 3.3085e-04 5.2954e-05 -6.0000e+00 1.0055e-02 8.2662e-04 12 9 9 12 1 1 999.00 18.60 0.41 0.00083 -0.00070 1 17 4 8 0 637.950 15.00 18.60 8.60 21.06 20.96 24.5 809.74 900000 -35914 900000 -57100 900000 -107546 900000 -96486 303005 -14812 162135 -46980 -26099 -652 -17718 65538 -9170 26063 -17389 121835 -26790 46771 -25801 47278 -20262 -5629 6701 6180 22243 -10025 31971 -15148 22665 -7826 11522 -14147 -911 -9873 6297 -3074 -527 -6682 -164 2439 -561 13811 -7241 13274 5111 7102 -5936 -680 -1271 -2385 3157 -907 5355 -723 4758 -895 5554 -959 5363 -1946 1966 1016 239 1708 2524 1799 -42 507 -1067 2081 -3592 1109 -4512 -1276 -2546 1114 -1458 -335 429 -1013 -1273 -735 143 -2641 803 -2212 1504 -501 2087 1950 568 1169 -1409 903 -690 2023 -1837 908 -662 1716 -2376 824 -1067 -1804 2 -612 801 -353 -222 -1006 1294 56 1655 1515 290 -752 -1380 -349 512 1042 -639 738 1960 2452 177 522 39 -723 234 -874 -684 -980 -62 692 296 -427 714 -489 -256 900000 -596 900000 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5.694466e-04 276.94 -2.00 20.00 -2.00 318.71 0.00e+00 2.977 0.000 302.00 328.00 3 2.3014e+00 1.8351e-03 2.9828e-02 -6.0000e+00 3.2250e-02 1.7562e-02 2.1352e-03 1.7823e-02 -6.0000e+00 3.5141e-02 6.9509e-03 1.6349e-03 8.6556e-03 -6.0000e+00 2.0902e-02 -9.0858e-03 8.6461e-04 2.9267e-03 -6.0000e+00 8.8784e-03 2.8476e-03 -5.6558e-04 3.8535e-05 3.0390e-05 -6.0000e+00 6.1918e-04 1.0411e-03 12 9 1 12 1 1 100.00 18.60 0.27 0.00104 -0.00321 401 108 2 8 0 98.200 15.00 18.60 11.47 21.06 20.96 24.7 822.88 -9845 -5737 -6147 -9763 -9106 -5210 -2755 -5281 -3108 -9397 846 -7647 -64 -5419 -1033 -2570 -619 -153 -1560 1035 -971 1431 780 1766 -2973 8 -2539 -734 826 3388 2460 2056 1214 -1658 528 -330 -747 -421 -351 -1851 -1955 -1645 -1183 -1164 -306 -943 -440 -86 -696 1290 605 780 747 909 360 724 64 -99 734 1512 1712 1267 1478 305 -464 260 714 801 1606 96 -45 -323 -391 204 -400 888 866 1291 908 -3 -738 -1064 -2065 -809 -1036 -1035 -442 -570 -237 -325 759 461 1278 1972 1550 795 945 287 -681 -476 -383 11 864 665 -1254 -764 -855 -614 -69 -32 -306 -376 22 206 507 1147 758 435 -5 -875 -786 -277 -223 -161 576 473 1188 1841 456 457 117 72 47 432 -357 -445 87 -2 -578 -212 9 -285 336 -274 -172 -192 -300 -252 -146 -81 -166 -107 -364 30 -315 -3 -309 -67 -191 -49 -13 -139 94 -92 132 74 178 -336 1 -299 -81 86 348 282 267 177 -257 76 -47 -117 -78 -79 -495 -577 -512 -380 -379 -99 -311 -143 -28 -227 425 216 302 311 401 166 342 31 -48 344 696 813 657 846 177 -275 156 400 445 960 61 -31 -236 -284 140 -278 546 485 700 531 -2 -530 -854 -1799 -731 -1003 -1072 -480 -638 -264 -348 745 416 1149 1741 1370 795 1062 363 -929 -641 -480 13 909 720 -1499 -961 -1127 -850 -102 -50 -522 -659 37 327 743 1575 1043 628 -8 -1446 -1313 -450 -351 -243 823 646 1534 2395 655 716 196 125 85 803 -712 -867 173 -4 -1180 -419 19 -553 629 SS 20230706T070042.6Z 8587.292159 248 1 52.15 2 66.84 46.07 84.48 252.97 0.00 1 0.00 1 0 25 1.206e-02 6.806e-03 1.385e-03 2.361e-04 3.284581e-01 1.170921e-04 3.519907e-03 -6.000000e+00 6.779539e-03 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