File name: Pandora159s1_Wakkerstroom_20231007_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20231008T063039.6Z 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_20231007_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: 20231007 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 20231007T041425.2Z 8680.176681 136 1 49.00 2 81.55 91.72 55.31 3.94 0.00 1 0.00 1 0 25 6.106e-01 3.142e-02 4.628e-01 1.873e-02 7.489182e-01 1.072260e-02 7.329097e-03 -6.000000e+00 3.569660e-01 227.91 -2.00 3.06 -2.00 321.92 0.00e+00 2.921122e-03 5.843169e-03 2.677395e-03 -6.000000e+00 1.599415e-02 278.19 -2.00 20.00 -2.00 321.45 0.00e+00 6.418 0.002 302.00 328.00 3 3.5252e+00 3.9654e-02 6.4756e-02 -6.0000e+00 8.9229e-01 2.2579e-01 5.5747e-02 4.1371e-02 -6.0000e+00 9.7561e-01 -4.7699e-01 5.5315e-02 2.0114e-02 -6.0000e+00 5.7094e-01 2.0235e-01 2.5518e-02 5.8507e-03 -6.0000e+00 2.3977e-01 4.0483e-05 -9.5398e-04 5.5619e-04 8.5487e-05 -6.0000e+00 1.7272e-02 1.4531e-03 12 8 8 10 0 0 56.07 19.93 0.78 0.00145 -0.00572 22 5 4 8 0 2226.860 14.99 19.93 20.08 22.09 21.98 25.8 864.98 -266686 -129776 -215127 -180847 900000 -66513 900000 -55916 900000 -137187 -15962 10166 -67182 900000 -151320 73328 55407 -115013 -6058 3087 -26035 900000 -143895 900000 -26793 -89301 73158 -15624 13778 -68408 132383 900000 72519 52208 900000 900000 900000 29958 11135 14535 5686 39386 34145 28203 208 370997 -1839 900000 6406 24045 46553 29855 27200 3766 10351 -1205 46078 4521 3493 5828 43636 46589 11189 12665 19285 33213 9670 13889 -493 10749 4216 6165 3033 17982 7527 -9045 -4003 14904 1806 -9230 12435 -3421 3997 327 -4142 2613 -722 -7832 6367 8175 -2396 2535 3215 2005 -4100 5523 772 -658 -7710 2910 -1781 -498 -2552 128 -3388 -3518 -17242 -1742 1100 487 -1396 1805 1244 364 2112 -87 1732 -18 929 -875 -70 -29 1499 -849 1689 3944 3573 3697 2054 1587 -458 1762 -81 842 896 -1136 -47 -3662 -93 -371 1514 -775 668 -6781 -2365 -4020 -3296 900000 -1212 900000 -1019 900000 -2500 -291 185 -1225 900000 -4469 1337 1010 -3515 -110 56 -475 900000 -6752 900000 -488 -3009 1333 -285 251 -1975 2413 900000 1322 952 900000 900000 900000 733 399 597 285 1527 1459 1303 13 6762 -120 900000 426 1453 2532 2151 2206 416 1143 -155 3854 559 422 675 3602 4138 1594 2021 3062 4577 1659 2400 -109 2457 1128 1682 843 4050 1704 -2172 -861 2752 432 -2939 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6.2526e-04 11 8 0 10 0 0 56.86 19.92 0.37 0.00063 -0.00677 119 26 4 8 0 413.300 14.99 19.92 20.83 22.09 21.98 26.0 869.26 -123230 101570 -118314 -72163 -136380 -59928 -109005 -103288 -83750 -111619 -44304 -89235 -13851 -53885 13904 -32078 -28420 -32642 -19051 -23261 -24057 -26522 -16424 -14495 -23963 -7919 -33204 -3488 -18862 -4991 -8253 12934 -7798 6749 -4006 -1466 -3443 2803 10932 986 3826 -1429 -1196 1771 3152 -3480 1659 -598 2993 1113 27 1966 -1031 2490 3003 2894 -1896 2078 -370 1864 3229 4063 2044 1502 791 1358 2394 683 2298 533 1520 -35 568 1001 -872 271 1438 702 719 -488 -929 -644 -2555 -1265 -1282 -891 -299 -458 2 415 602 162 1463 1461 1627 776 873 1 -439 -406 -257 264 991 581 -1594 -872 -3222 -561 -473 284 -560 130 71 276 183 1189 848 53 147 -910 -702 -406 -7 -454 1040 323 1679 1609 619 476 41 137 309 462 -283 -142 57 -1227 -482 60 152 190 341 -1169 301 -1368 -513 -1698 -338 -1066 -1072 -795 -1489 -315 -1138 -107 -815 136 -599 -581 -704 -429 -527 -564 -700 -404 -374 -659 -214 -1065 -90 -570 -144 -294 449 -351 280 -178 -63 -165 150 660 78 329 -139 -123 183 330 -401 187 -71 360 145 4 315 -186 470 593 593 -417 437 -78 380 678 938 549 455 253 421 716 213 778 211 658 -16 256 424 -344 95 463 230 264 -215 -480 -377 -1664 -861 -932 -689 -242 -383 2 330 446 112 951 972 1205 670 870 1 -505 -467 -301 276 943 561 -1696 -976 -3886 -703 -646 394 -862 208 113 423 264 1769 1272 77 228 -1485 -1139 -634 -11 -719 1559 469 2311 2296 1002 796 75 266 625 988 -651 -343 142 -3124 -1217 145 346 408 708 SS 20231007T043657.1Z 8680.192327 145 1 49.51 2 76.54 89.14 55.20 357.99 0.00 1 0.00 1 0 25 1.730e-01 7.194e-03 9.600e-02 1.840e-03 5.342086e-01 9.591384e-04 5.370888e-03 -6.000000e+00 9.825901e-02 227.91 -2.00 3.06 -2.00 320.70 0.00e+00 5.158381e-03 3.796743e-04 1.597711e-03 -6.000000e+00 4.273756e-03 278.19 -2.00 20.00 -2.00 320.14 0.00e+00 4.197 0.000 302.00 328.00 3 2.0914e+00 2.9626e-03 4.3556e-02 -6.0000e+00 2.4463e-01 -2.5021e-02 3.7877e-03 2.9654e-02 -6.0000e+00 2.6598e-01 -2.4029e-02 3.6937e-03 1.2778e-02 -6.0000e+00 1.5799e-01 2.7587e-03 1.8463e-03 7.2678e-03 -6.0000e+00 6.6807e-02 1.1591e-03 -9.3001e-04 5.3269e-05 5.3514e-05 -6.0000e+00 4.6257e-03 5.2149e-04 11 8 0 10 0 0 53.39 19.92 0.33 0.00052 -0.00647 192 41 4 8 0 256.490 14.99 19.92 21.34 22.09 21.98 26.1 871.55 46056 -29333 -29652 -32665 -83598 54089 -80602 50087 -79576 25054 -65170 17842 -48617 -18682 -19649 5551 -8885 -7991 3119 -15873 8567 -11789 22612 -13283 2544 -18648 4410 -6449 4143 -480 -1834 -3053 -5139 1880 -8912 5513 -9123 6198 -4920 -381 -4207 387 -3481 -1457 302 -2715 2159 -2194 2930 1511 4033 -309 3124 -817 685 822 430 169 478 2480 -81 2743 452 2688 -713 2362 348 1497 1418 898 258 -146 407 -832 586 -675 1706 -180 1738 -834 316 -1535 -2013 -1107 -964 -675 -829 66 18 613 416 1426 577 2480 946 847 901 319 -745 -247 35 -325 1189 411 -1125 -1082 -2130 -987 80 -202 -371 -218 -105 439 211 1256 384 662 -396 -637 -1031 84 -242 -74 460 610 1434 1471 763 104 439 -229 166 165 -229 -503 161 211 -655 -120 -146 -43 232 149 -235 -239 -281 -1032 175 -1004 204 -1241 156 -972 139 -862 -314 -417 108 -224 -220 83 -540 234 -395 556 -501 88 -833 158 -252 144 -19 -85 -169 -332 120 -608 322 -676 469 -508 -45 -537 51 -497 -210 44 -414 340 -348 484 251 719 -64 679 -199 172 214 115 45 124 627 -22 794 151 978 -279 863 125 540 563 412 131 -77 213 -419 267 -280 639 -69 717 -414 180 -1007 -1443 -831 -772 -576 -748 61 17 540 342 1075 414 1768 757 777 946 361 -924 -304 41 -357 1186 420 -1261 -1284 -2536 -1234 107 -300 -604 -370 -176 699 315 1762 545 982 -633 -1071 -1741 136 -380 -112 663 891 1991 2101 1153 177 805 -444 333 331 -493 -1145 373 496 -1558 -276 -316 -93 485 SS 20231007T044247.4Z 8680.196382 147 1 50.67 2 75.25 88.46 55.25 356.45 0.00 1 0.00 1 0 25 6.274e-02 5.718e-03 3.407e-02 1.270e-03 4.955816e-01 6.565059e-04 5.044972e-03 -6.000000e+00 3.563521e-02 227.91 -2.00 3.06 -2.00 320.34 0.00e+00 4.718649e-03 2.300797e-04 1.303793e-03 -6.000000e+00 1.549921e-03 278.19 -2.00 20.00 -2.00 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