File name: Pandora159s1_Wakkerstroom_20240307_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T120205.5Z 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_20240307_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: 20240307 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 20240307T051810.5Z 8832.220955 167 1 6.34 2 72.63 86.71 28.70 91.05 0.00 1 0.00 1 0 17 5.796e-02 9.727e-03 4.882e-02 6.820e-03 3.623230e-01 3.402417e-03 3.764024e-03 -6.000000e+00 3.284092e-02 227.44 -2.00 3.06 -2.00 318.51 0.00e+00 1.468447e-03 6.950908e-04 1.107870e-04 -6.000000e+00 1.455589e-03 282.26 -2.00 20.00 -2.00 317.79 0.00e+00 3.304 0.000 302.00 328.00 3 4.0938e+00 9.2353e-03 3.1392e-02 -6.0000e+00 8.1558e-02 4.5163e-02 1.0563e-02 1.6524e-02 -6.0000e+00 8.8677e-02 -7.2106e-03 7.1957e-03 8.0956e-03 -6.0000e+00 5.2820e-02 -1.5002e-03 3.7770e-03 2.6450e-03 -6.0000e+00 2.2411e-02 3.7858e-04 -2.9195e-04 1.9272e-04 2.6313e-05 -6.0000e+00 1.5502e-03 -2.4567e-03 0.0000e+00 12 9 9 12 1 1 999.00 19.98 0.35 -0.00246 -0.00465 2 5 1 8 0 2110.370 15.00 19.98 22.09 22.09 21.98 27.9 866.65 36691 -14277 11639 -6782 -6249 -4171 33104 -10163 14608 17518 -18202 -13764 2267 1562 1829 6048 -370 -2085 -2084 3224 -4079 6614 7338 176 -4087 -4254 1898 2377 3662 -6350 2489 6757 717 -2447 479 -3469 -2532 -3169 -1486 -4310 -5707 951 -412 900 -2805 -99 -2121 -1485 953 1635 986 501 1320 1342 570 1025 1180 2323 871 3307 2450 -379 1805 594 -913 772 672 806 1898 837 -535 -637 -1214 643 447 1828 -152 569 491 -370 -750 -1215 -2976 -1259 -951 -1045 28 -508 25 -551 618 -494 1005 1165 1550 2029 689 598 -1901 -250 -118 539 1206 -510 -1945 -963 -577 -568 187 -96 -5 -39 590 -475 73 153 994 937 701 -50 -1276 -143 -463 -620 1364 644 1352 2327 -665 522 -252 99 -285 342 -196 -635 313 -69 -530 -102 212 -595 220 1129 -792 519 -340 -283 -181 1077 -565 716 874 -1280 -989 163 134 182 647 -45 -270 -284 435 -604 883 1001 27 -702 -758 319 379 554 -1071 425 1229 151 -544 98 -732 -578 -851 -466 -1589 -2305 380 -172 375 -1214 -42 -913 -633 397 693 449 246 680 727 320 587 685 1334 496 1840 1416 -239 1214 430 -671 530 440 527 1312 648 -448 -550 -1047 528 347 1287 -101 370 338 -286 -642 -1129 -2947 -1279 -1016 -1173 32 -602 29 -634 668 -505 963 1109 1558 2211 824 772 -2608 -336 -151 643 1372 -604 -2457 -1257 -777 -792 270 -147 -8 -63 930 -724 105 213 1374 1339 1051 -78 -2024 -222 -708 -925 1945 894 1808 3129 -967 799 -403 161 -474 585 -350 -1169 581 -130 -1005 -189 383 -1050 380 SS 20240307T052907.6Z 8832.228561 169 1 52.50 2 70.21 85.40 26.34 89.81 0.00 1 0.00 1 0 25 1.126e-02 6.597e-03 1.916e-03 3.176e-04 3.214125e-01 1.590095e-04 3.376346e-03 -6.000000e+00 6.376793e-03 227.44 -2.00 3.06 -2.00 318.55 0.00e+00 1.615406e-03 3.219678e-05 2.589740e-04 -6.000000e+00 2.826484e-04 282.26 -2.00 20.00 -2.00 317.82 0.00e+00 2.922 0.000 302.00 328.00 3 4.6939e-01 4.3207e-04 2.7870e-02 -6.0000e+00 1.5836e-02 1.4739e-02 4.9317e-04 1.4990e-02 -6.0000e+00 1.7219e-02 -8.0099e-03 3.3050e-04 7.1864e-03 -6.0000e+00 1.0257e-02 -1.8964e-03 1.7246e-04 2.5568e-03 -6.0000e+00 4.3512e-03 2.0701e-02 -2.1949e-04 9.1842e-06 2.4709e-05 -6.0000e+00 3.0105e-04 -1.4934e-03 0.0000e+00 11 8 0 10 0 0 99.58 19.98 0.24 -0.00149 -0.00314 1560 336 2 8 0 31.620 15.00 19.98 22.92 22.09 22.09 28.2 873.42 -3275 -2347 -4061 -4419 -2321 -2439 -512 -648 -968 -3063 -1725 -514 -895 -865 -222 -1621 -186 -486 -41 101 -713 1002 981 -399 -80 -621 -1735 -670 239 1847 1280 2088 810 -1945 -588 -110 -731 9 -473 -1675 -1649 -1136 -1198 -1064 -291 -963 -524 -328 -258 960 984 868 1066 680 528 1164 295 472 806 1189 1635 1349 1177 500 -656 531 492 1078 1780 176 20 -364 -188 -155 -240 552 468 1000 1057 -378 -686 -1447 -2074 -883 -1120 -871 -554 -459 -217 -156 630 524 1292 1982 1295 683 781 161 -821 -572 -371 -108 913 612 -1191 -717 -690 -638 -25 -133 -313 -353 -55 157 522 1179 763 551 78 -742 -793 -263 -221 -47 715 311 1302 1669 538 352 102 46 127 405 -239 -377 78 -86 -544 -143 -128 -209 96 -171 -134 -240 -245 -113 -115 -25 -36 -61 -204 -113 -35 -71 -81 -24 -198 -24 -65 -6 15 -107 147 147 -64 -14 -110 -309 -112 38 288 218 392 169 -425 -119 -22 -161 2 -149 -618 -665 -478 -521 -467 -127 -425 -228 -141 -110 411 450 430 561 379 279 626 163 258 469 687 977 804 771 353 -468 348 301 649 1156 132 16 -311 -159 -126 -180 367 309 637 720 -273 -564 -1325 -2041 -902 -1228 -942 -630 -536 -252 -174 698 531 1198 1800 1274 755 891 206 -1122 -766 -461 -122 1050 733 -1456 -922 -928 -900 -37 -213 -496 -567 -85 243 742 1574 1025 778 119 -1209 -1311 -424 -347 -70 1014 421 1664 2160 763 541 167 78 218 673 -425 -705 149 -168 -1071 -273 -234 -366 164 SS 20240307T054143.8Z 8832.237313 176 1 44.84 2 67.42 83.84 23.62 88.24 0.00 1 0.00 1 0 25 1.487e-02 7.384e-03 1.008e-02 2.220e-03 2.881235e-01 1.106105e-03 3.027514e-03 -6.000000e+00 8.428164e-03 227.44 -2.00 3.06 -2.00 318.21 0.00e+00 1.304058e-03 2.011171e-04 1.299858e-04 -6.000000e+00 3.735520e-04 282.26 -2.00 20.00 -2.00 317.46 0.00e+00 2.584 0.000 302.00 328.00 3 4.2250e+00 2.9760e-03 2.4687e-02 -6.0000e+00 2.0931e-02 5.0367e-02 3.3835e-03 1.3203e-02 -6.0000e+00 2.2757e-02 -7.2371e-03 2.1544e-03 6.4193e-03 -6.0000e+00 1.3555e-02 -4.4291e-03 1.1020e-03 2.1324e-03 -6.0000e+00 5.7517e-03 6.5315e-04 -3.3721e-04 6.4215e-05 2.1759e-05 -6.0000e+00 3.9782e-04 -2.6819e-03 0.0000e+00 12 9 1 12 1 1 99.95 19.99 0.20 -0.00268 -0.00522 39 9 1 8 0 1120.800 15.00 19.99 24.50 22.09 22.09 28.5 879.86 -6817 -2447 -2049 -5648 -2420 -3987 1303 -5297 -469 -5038 -131 1227 567 1701 447 850 676 1218 -660 2124 -1226 60 -865 1150 -2482 -1254 -1642 757 874 1944 3712 977 1025 -2910 -478 -939 -483 -227 -61 -2179 -1236 -416 -1117 -396 -700 -1392 -647 291 -717 1355 1293 1098 1733 1212 856 1362 71 288 560 1016 1371 1316 988 71 -1046 549 657 1113 1368 469 -11 -193 -99 34 -301 -15 -294 1369 1058 -176 -1144 -1252 -2285 -781 -1085 -1031 -698 -611 47 -136 301 394 1408 1548 1344 355 605 158 -969 -485 -347 -312 363 304 -1575 -1010 2629 -916 124 67 -405 24 -27 439 514 977 904 397 7 -775 -679 -318 -458 -361 587 155 1061 1454 266 122 -101 171 23 347 -453 -130 289 14 -579 -73 96 -410 90 -514 -194 -165 -440 -164 -265 88 -428 -40 -467 -11 111 58 203 62 128 108 201 -116 375 -229 11 -164 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