File name: Pandora159s1_Wakkerstroom_20240412_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T120501.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v7d20231113.txt Level 1 file used: Pandora159s1_Wakkerstroom_20240412_L1_smca1c7d20231113p1-8.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: 20240412 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: new FC bc steadily increasing wrms First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0825 305.2233 305.3641 305.5049 305.6457 305.7864 305.9272 306.0679 306.2087 306.3494 306.4901 306.6308 306.7715 306.9122 307.0528 307.1935 307.3341 307.4747 307.6153 307.7560 307.8965 308.0371 308.1777 308.3183 308.4588 308.5993 308.7399 308.8804 309.0209 309.1614 309.3019 309.4423 309.5828 309.7232 309.8637 310.0041 310.1445 310.2849 310.4253 310.5657 310.7060 310.8464 310.9867 311.1270 311.2674 311.4077 311.5480 311.6882 311.8285 311.9688 312.1090 312.2493 312.3895 312.5297 312.6699 312.8101 312.9503 313.0904 313.2306 313.3708 313.5109 313.6510 313.7911 313.9312 314.0713 314.2114 314.3514 314.4915 314.6315 314.7716 314.9116 315.0516 315.1916 315.3316 315.4715 315.6115 315.7514 315.8914 316.0313 316.1712 316.3111 316.4510 316.5909 316.7307 316.8706 317.0104 317.1503 317.2901 317.4299 317.5697 317.7095 317.8493 317.9890 318.1288 318.2685 318.4082 318.5479 318.6876 318.8273 318.9670 319.1067 319.2463 319.3860 319.5256 319.6652 319.8048 319.9444 320.0840 320.2236 320.3632 320.5027 320.6422 320.7818 320.9213 321.0608 321.2003 321.3398 321.4792 321.6187 321.7581 321.8976 322.0370 322.1764 322.3158 322.4552 322.5945 322.7339 322.8732 323.0126 323.1519 323.2912 323.4305 323.5698 323.7091 323.8484 323.9876 324.1269 324.2661 324.4053 324.5445 324.6837 324.8229 324.9621 --------------------------------------------------------------------------------------- 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 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20240412T064417.4Z 8868.280756 112 1 49.91 2 59.66 59.72 107.48 68.50 0.00 1 0.00 1 0 25 1.008e-02 6.824e-03 1.059e-03 3.418e-04 2.376082e-01 1.685614e-04 2.537283e-03 -6.000000e+00 5.686753e-03 226.19 -2.00 3.06 -2.00 317.37 0.00e+00 1.198811e-03 2.471954e-05 1.216069e-04 -6.000000e+00 2.515758e-04 280.72 -2.00 20.00 -2.00 316.66 0.00e+00 1.972 0.000 302.00 328.00 3 1.3800e+00 4.4453e-04 1.9262e-02 -6.0000e+00 1.4089e-02 1.2994e-02 5.0147e-04 1.0870e-02 -6.0000e+00 1.5334e-02 4.0159e-04 3.0234e-04 5.2913e-03 -6.0000e+00 9.1346e-03 -3.4187e-03 1.4996e-04 1.7977e-03 -6.0000e+00 3.8827e-03 2.0092e-02 -3.7711e-05 9.7868e-06 1.8799e-05 -6.0000e+00 2.6947e-04 -5.9360e-03 0.0000e+00 11 8 0 10 0 0 99.99 18.66 0.28 -0.00594 -0.00622 1555 334 2 8 0 31.740 14.99 18.66 20.04 21.06 21.06 26.3 850.21 -2160 -2336 -3241 -4151 -989 -397 445 826 -165 -1752 -894 1040 -391 392 -206 -1257 -200 26 217 473 -267 932 1467 428 398 -209 -842 -194 1256 2377 1806 2373 1155 -1914 -340 392 -510 376 -372 -1466 -1549 -915 -1154 -1059 -382 -922 -778 -405 -473 919 859 657 1031 577 564 1179 413 450 874 1195 1594 1209 1054 353 -873 325 157 1002 1673 152 -189 -402 -365 -151 -308 524 538 1066 1233 -358 -644 -1398 -2067 -902 -1061 -942 -539 -553 -352 -337 484 344 1127 1969 1292 740 809 196 -816 -610 -393 -155 919 633 -1068 -611 -562 -627 0 -68 -220 -320 -61 149 487 1099 758 594 176 -639 -738 -211 -220 37 806 400 1284 1690 564 366 82 1 84 409 -231 -380 57 -125 -552 -203 -182 -328 32 -255 -299 -423 -506 -104 -44 47 97 -22 -241 -120 141 -60 69 -41 -278 -46 6 53 118 -68 233 371 115 112 -61 -245 -53 314 578 468 662 352 -609 -99 112 -160 137 -164 -753 -865 -529 -686 -634 -227 -549 -452 -228 -260 501 494 405 668 394 395 835 299 323 612 832 1144 939 815 291 -720 265 118 728 1297 124 -169 -374 -338 -134 -277 419 388 728 883 -294 -595 -1311 -2073 -936 -1181 -1123 -675 -714 -452 -416 548 353 1142 1921 1233 784 952 256 -1138 -832 -499 -179 1003 722 -1347 -810 -777 -907 -1 -101 -343 -504 -92 225 668 1408 973 800 255 -1000 -1092 -333 -337 54 1110 525 1585 2086 753 525 124 2 132 663 -368 -639 98 -220 -980 -352 -304 -526 55 SS 20240412T064923.7Z 8868.284303 115 1 1.68 2 58.69 58.78 106.47 68.05 0.00 1 0.00 1 0 25 1.011e-02 7.680e-03 3.425e-03 1.837e-03 2.317708e-01 9.190025e-04 2.487147e-03 -6.000000e+00 5.704028e-03 226.19 -2.00 3.06 -2.00 315.92 0.00e+00 1.032037e-03 9.628376e-05 1.036418e-04 -6.000000e+00 2.523443e-04 280.72 -2.00 20.00 -2.00 315.29 0.00e+00 1.917 0.000 302.00 328.00 3 2.0878e+00 2.3706e-03 1.8697e-02 -6.0000e+00 1.4132e-02 1.9265e-02 2.6539e-03 1.0460e-02 -6.0000e+00 1.5381e-02 -3.3481e-03 1.5288e-03 5.1242e-03 -6.0000e+00 9.1625e-03 -1.0366e-03 7.0563e-04 1.6636e-03 -6.0000e+00 3.8943e-03 1.0437e-02 -1.9866e-04 5.1128e-05 1.8733e-05 -6.0000e+00 2.7031e-04 -5.5303e-03 0.0000e+00 12 9 1 12 1 1 99.38 18.66 0.23 -0.00553 -0.00702 12 82 1 8 0 128.870 15.00 18.66 20.25 21.06 21.06 26.3 851.95 -3131 -2497 -2386 -3226 -442 106 1047 570 646 -1682 701 -390 871 -209 656 -2120 296 335 155 993 -496 1382 862 1089 116 384 -1047 -107 703 2751 1961 2380 977 -1797 4 409 -304 -59 218 -1807 -1396 -933 -1044 -795 -509 -1080 -802 -118 -128 716 648 916 847 894 383 1178 564 745 665 1096 1217 1102 849 83 -778 47 342 620 1861 -130 -135 -758 -369 -85 -287 593 88 783 839 -108 -967 -1343 -2280 -972 -1621 -1047 -431 -514 -413 -675 566 596 1042 2009 1292 663 889 162 -718 -775 -226 -517 912 884 -1338 -374 -640 -755 -24 8 -274 -176 11 68 616 1082 722 859 29 -538 -988 -62 -21 19 730 464 1484 1464 453 465 253 -101 5 462 -370 -252 -47 -32 -460 -423 -451 -349 -8 -690 -592 -569 -718 -92 21 216 133 154 -424 169 -98 241 -67 221 -798 113 132 59 389 -200 540 344 455 52 175 -477 -45 294 1108 840 1029 461 -883 2 180 -147 -32 131 -1209 -958 -665 -763 -583 -372 -790 -572 -85 -90 503 455 686 670 704 311 966 472 618 540 884 1014 944 791 79 -735 42 296 519 1652 -122 -138 -774 -374 -86 -271 520 73 644 690 -97 -934 -1369 -2492 -1054 -1893 -1254 -521 -641 -513 -809 668 664 1098 2033 1336 731 1043 204 -926 -1017 -285 -625 1034 1043 -1688 -476 -852 -1013 -34 12 -401 -258 16 94 807 1377 920 1102 39 -748 -1413 -86 -30 25 962 606 1814 1796 599 634 350 -143 7 663 -548 -392 -73 -51 -732 -657 -697 -519 -13 SS 20240412T065351.5Z 8868.287401 117 1 6.34 2 57.85 57.95 105.60 67.64 0.00 1 0.00 1 0 25 1.486e-02 8.668e-03 9.635e-03 4.620e-03 2.288013e-01 2.309321e-03 2.485434e-03 -6.000000e+00 8.384285e-03 226.19 -2.00 3.06 -2.00 316.26 0.00e+00 1.164856e-03 2.593943e-04 1.875325e-04 -6.000000e+00 3.709185e-04 280.72 -2.00 20.00 -2.00 315.60 0.00e+00 1.873 0.000 302.00 328.00 3 4.7730e+00 5.9856e-03 1.8375e-02 -6.0000e+00 2.0772e-02 4.6531e-02 6.7084e-03 1.0473e-02 -6.0000e+00 2.2609e-02 -4.3675e-03 3.8859e-03 5.0960e-03 -6.0000e+00 1.3468e-02 -5.2329e-04 1.8217e-03 1.7624e-03 -6.0000e+00 5.7242e-03 7.3188e-04 -1.9604e-04 1.2971e-04 1.9673e-05 -6.0000e+00 3.9732e-04 -5.4811e-03 0.0000e+00 12 9 1 12 1 1 999.00 18.66 0.38 -0.00548 -0.00695 2 5 1 8 0 2110.960 15.00 18.66 20.63 21.06 21.06 26.6 854.56 77 -6059 -706 -7401 697 -981 444 -262 4969 -1434 -2716 2674 937 2420 -11 1079 654 460 -643 -472 394 858 747 1369 838 -1585 529 -495 2539 3291 3927 1134 4000 -4383 223 -82 -1486 -14 248 -1988 -2176 -343 -2188 427 -177 -182 -1006 1060 -340 -290 219 1159 -28 -508 502 894 132 342 444 102 1344 1158 1626 397 -367 189 -1232 289 1489 409 285 -258 -1030 41 -233 616 241 1282 89 -658 -1975 -1497 -1533 -1573 -434 -428 -137 -299 -236 -667 808 402 813 1381 2010 1312 1598 377 -717 53 -165 3 1035 1202 -1761 -288 -821 -723 -617 49 -560 102 1 -289 835 828 676 503 5 -1331 -761 -457 -356 -103 681 243 1236 1815 321 150 735 164 -444 298 -732 -160 403 244 -703 -308 -82 -228 134 15 -1303 -145 -1514 119 -164 77 -51 1004 -315 -595 571 224 645 -3 348 219 158 -230 -173 145 312 276 525 335 -664 215 -193 913 1162 1441 454 1659 -1961 91 -33 -649 -7 140 -1269 -1478 -236 -1560 300 -125 -128 -701 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