File name: Pandora159s1_Wakkerstroom_20240629_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240629T221020.8Z 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 v1.8.59 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20240629_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: 20240629 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 20240629T053049.7Z 8946.229742 235 1 49.49 2 82.86 59.22 37.90 326.70 0.00 1 0.00 1 0 25 6.080e-01 4.397e-02 4.219e-01 2.067e-02 7.949648e-01 1.177771e-02 7.786659e-03 -6.000000e+00 3.515443e-01 225.05 -2.00 3.06 -2.00 321.88 0.00e+00 -9.665578e-03 6.153845e-03 1.933364e-03 -6.000000e+00 1.812712e-02 277.04 -2.00 20.00 -2.00 321.42 0.00e+00 7.430 0.002 302.00 328.00 3 2.7458e+00 4.2023e-02 7.3429e-02 -6.0000e+00 8.8050e-01 4.9429e-01 5.7507e-02 4.8823e-02 -6.0000e+00 9.6761e-01 -6.3052e-01 5.6560e-02 1.9953e-02 -6.0000e+00 5.6525e-01 2.3883e-01 2.6605e-02 1.2350e-02 -6.0000e+00 2.3755e-01 3.6282e-05 -4.8290e-04 5.9323e-04 1.2909e-04 -6.0000e+00 1.6968e-02 1.3691e-02 12 8 8 10 0 0 98.51 18.41 0.63 0.01369 0.01006 18 4 4 8 0 2749.090 15.00 18.41 7.02 20.87 20.87 25.3 786.43 -110624 -252343 900000 -163281 -58725 -87538 900000 900000 -150880 900000 900000 900000 -135765 900000 -123827 900000 32787 900000 900000 -25149 190205 900000 157879 -96469 -36393 -82729 101656 -44032 -58479 95006 138033 900000 14971 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2353 3102 221 1749 -1871 -228 -308 2299 -3873 1048 -1746 2256 -230 -2974 356 274 291 3910 -300 -6770 -183 1303 1074 1720 -2704 -4866 -2764 -1079 -2854 3473 -1330 -1142 -6155 -6468 -2537 -63 -2400 -3116 -1565 1076 2932 1033 3999 1425 6574 -311 -2234 -2455 266 2494 2187 1260 2314 2418 702 1561 4604 2129 3453 3755 4602 4862 -45 7438 -35313 279 4892 4445 3831 1521 SS 20240629T053652.1Z 8946.233936 238 1 30.96 2 81.71 58.44 38.67 324.66 0.00 1 0.00 1 0 17 5.448e-01 1.706e-02 3.581e-01 1.078e-02 6.933999e-01 5.773776e-03 6.764863e-03 -6.000000e+00 3.075677e-01 225.05 -2.00 3.06 -2.00 321.51 0.00e+00 8.586866e-03 2.870818e-03 3.048838e-03 -6.000000e+00 1.363601e-02 277.04 -2.00 20.00 -2.00 321.03 0.00e+00 6.532 0.002 302.00 328.00 3 2.5320e+00 1.9670e-02 6.5869e-02 -6.0000e+00 7.6225e-01 2.7283e-01 2.7173e-02 4.5893e-02 -6.0000e+00 8.3175e-01 -3.7059e-01 2.8033e-02 1.6972e-02 -6.0000e+00 4.9291e-01 1.5133e-01 1.3273e-02 1.1143e-02 -6.0000e+00 2.0884e-01 9.8691e-05 -1.7916e-03 3.0145e-04 8.0598e-05 -6.0000e+00 1.5060e-02 1.3015e-02 12 9 9 12 1 1 99.54 18.41 0.52 0.01301 -0.00045 21 8 4 8 0 1407.170 15.00 18.41 7.75 20.87 20.87 25.5 790.68 -254158 -215804 -199619 900000 -180845 -174972 48728 900000 -104920 -117460 -134370 -72640 -79508 900000 127751 95335 -35616 -20645 125264 -4085 13688 -24570 60628 -40534 23764 -51449 -53986 -53288 83722 204265 16470 64859 13194 434 51535 14903 20669 10015 38182 38743 6784 24945 583 -6021 18577 33687 16228 29094 12700 23170 14885 10807 2085 6045 1111 17668 14420 8336 10291 4879 -1328 14946 7802 12883 10699 2426 -620 6935 1533 3859 5739 -145 4502 -394 -621 -4435 -2904 5887 2024 -3470 -1778 -3223 546 1946 -4004 -286 -1562 1056 781 -1848 816 -1900 -1431 -1287 -1870 -1618 -692 -608 -343 -582 1339 -1156 1255 1468 -1096 -2199 -2981 -380 -924 -560 -1148 -1517 168 527 -661 1709 1021 641 -201 -707 -36 536 -82 245 2331 520 2530 1786 1279 765 284 857 -107 242 374 -537 131 -671 -1001 -87 -101 -40 -291 -8681 -5859 -4895 900000 -3168 -2758 512 900000 -1103 -1337 -1883 -763 -975 900000 1343 1002 -655 -362 1316 -68 192 -495 637 -1029 363 -1577 -1702 -1633 880 2147 378 1115 404 16 1182 444 634 403 1404 1663 446 1464 46 -522 1285 2065 1222 2013 1090 1928 1499 1268 292 879 178 2476 2122 1285 1505 744 -224 2395 1544 2742 2455 593 -154 1658 431 1220 1950 -54 1569 -135 -193 -1282 -778 1490 608 -1322 -783 -1646 294 1092 -2542 -186 -1082 732 540 -1259 505 -1130 -819 -768 -1274 -1288 -636 -642 -363 -670 1409 -1111 1074 1265 -1043 -2240 -3232 -431 -1166 -736 -1688 -2375 259 784 -941 2473 1504 996 -308 -1132 -56 866 -128 369 3317 726 3350 2507 2059 1301 533 1706 -226 543 896 -1362 337 -1762 -2628 -217 -236 -87 -614 SS 20240629T055317.7Z 8946.245344 243 1 49.40 2 78.64 56.21 40.93 319.48 0.00 1 0.00 1 0 25 1.566e-01 6.640e-03 6.406e-02 1.890e-03 5.434102e-01 9.796244e-04 5.471445e-03 -6.000000e+00 8.786675e-02 225.05 -2.00 3.06 -2.00 320.70 0.00e+00 3.780035e-03 3.855354e-04 1.191709e-03 -6.000000e+00 3.846655e-03 277.04 -2.00 20.00 -2.00 320.14 0.00e+00 4.914 0.001 302.00 328.00 3 1.5009e+00 3.0118e-03 4.7535e-02 -6.0000e+00 2.1739e-01 3.9649e-02 3.8607e-03 2.7719e-02 -6.0000e+00 2.3705e-01 -3.7654e-02 3.7938e-03 1.2847e-02 -6.0000e+00 1.4103e-01 3.7346e-03 1.8973e-03 5.7709e-03 -6.0000e+00 5.9812e-02 1.1763e-03 -9.7949e-04 5.4032e-05 4.8809e-05 -6.0000e+00 4.1861e-03 1.2997e-02 11 8 0 10 0 0 98.85 18.41 0.33 0.01300 0.00564 200 43 4 8 0 246.960 14.99 18.41 9.60 20.87 20.87 25.6 799.40 -73140 -37331 -81669 -35450 -63580 -12300 -63993 -17434 -45828 -10741 -47117 -38726 -14910 -33911 19350 -26242 10340 -12532 514 -15552 -2246 -9931 -3569 -3191 -10567 -8802 -16628 3701 -17366 5501 -3247 6804 -2521 903 -3597 4314 -1768 74 -2112 -3504 -326 -3198 228 -4308 2554 -2964 3470 -1359 2045 1431 -334 1737 1608 2886 385 2199 195 1450 -1195 2040 1050 2360 1874 979 83 1625 1969 492 2762 -250 551 -1017 431 -454 -147 -493 -133 -57 520 239 -582 -611 -2265 -682 -1295 -536 -817 -202 -470 541 851 763 1486 1722 1478 190 1084 -179 -476 -515 59 33 938 230 -1506 -1051 -1206 -530 -141 77 -480 -282 -142 343 486 1403 621 549 -6 -960 -652 -356 19 -235 687 142 1375 1461 513 96 25 -16 107 372 -434 -393 25 -21 -597 71 -38 -105 354 -768 -317 -1144 -301 -656 -75 -708 -138 -541 -95 -625 -535 -203 -713 296 -677 227 -344 13 -500 -65 -310 -109 -105 -402 -345 -711 125 -719 214 -147 328 -152 55 -221 244 -118 6 -207 -410 -41 -445 32 -651 366 -459 513 -216 325 243 -64 360 363 692 99 578 54 390 -321 527 286 701 632 369 33 604 707 183 1114 -119 286 -556 229 -230 -68 -205 -51 -22 224 121 -345 -408 -1668 -522 -1067 -468 -690 -174 -440 482 702 584 1073 1269 1214 182 1078 -204 -586 -629 66 37 953 241 -1590 -1167 -1412 -656 -189 115 -781 -476 -237 540 715 1954 879 816 -10 -1612 -1086 -572 30 -352 976 194 1952 1974 781 163 47 -30 216 792 -996 -872 57 -49 -1381 170 -85 -225 738 SS 20240629T055945.5Z 8946.249832 246 1 49.62 2 77.46 55.29 41.89 317.58 0.00 1 0.00 1 0 25 7.360e-02 6.050e-03 3.509e-02 1.253e-03 5.006317e-01 6.357902e-04 5.043754e-03 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