File name: Pandora159s1_Wakkerstroom_20220113_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T035337.3Z 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 v1.8.75 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20220113_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: 20220113 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 20220113T035513.4Z 8048.163349 93 1 49.59 2 82.98 110.60 146.33 266.06 0.00 1 0.00 1 0 25 5.988e-01 1.176e-02 3.175e-01 5.194e-03 7.947748e-01 2.908077e-03 7.663071e-03 -6.000000e+00 3.459522e-01 227.63 -2.00 3.06 -2.00 321.87 0.00e+00 5.822763e-03 1.671019e-03 4.130486e-03 -6.000000e+00 1.539533e-02 282.44 -2.00 20.00 -2.00 321.38 0.00e+00 7.533 0.003 302.00 328.00 3 6.4054e-01 1.1167e-02 7.7526e-02 -6.0000e+00 8.6298e-01 2.6438e-01 1.7145e-02 5.7311e-02 -6.0000e+00 9.3983e-01 -2.8682e-01 1.8503e-02 2.2114e-02 -6.0000e+00 5.5491e-01 1.0326e-01 8.3561e-03 1.0130e-02 -6.0000e+00 2.3344e-01 2.7303e-04 -1.3146e-03 1.4384e-04 8.6796e-05 -6.0000e+00 1.6273e-02 -4.9922e-03 12 9 8 11 8 0 11.70 19.37 0.32 -0.00499 -0.01487 135 29 4 8 0 364.560 15.00 19.37 21.60 21.58 21.58 19.7 896.78 -151101 -290501 -246745 -288952 -77292 -51090 900000 -141868 900000 -216540 -104263 -209673 -100137 -40747 -130405 -11847 3464 900000 -103961 -23753 -79582 900000 -27723 -58099 -46858 -47995 819 -88155 92408 -83228 -6069 -26325 12839 -39757 57267 6334 20327 21665 9687 -6048 -8714 19526 -7060 23142 -717 49322 880 14934 3647 16342 13356 9695 18135 8877 8160 -779 11624 -1614 11739 844 13222 6832 20678 6853 5676 5584 6840 6409 2195 4830 834 4968 115 5477 -174 4074 869 2073 -517 2312 -13 -1933 -1792 -2793 -716 -2384 101 -2046 412 -648 1223 206 -553 -364 -1405 539 -341 -94 -1075 -82 -758 655 1658 1017 -1844 -1613 1310 -2184 -1132 -822 -868 -670 -166 37 1066 1182 1599 398 -36 -327 -671 156 -202 -49 420 575 940 2125 294 431 495 629 95 217 -375 -577 234 -345 -346 -812 353 -199 550 -765 -4166 -2725 -4388 -391 -259 900000 -718 900000 -2292 -528 -2605 -553 -206 -1740 -60 18 900000 -1914 -208 -1245 900000 -268 -829 -647 -707 8 -1947 468 -1992 -84 -557 219 -1244 659 119 365 459 285 -250 -421 773 -354 969 -39 1680 51 790 212 1000 873 748 1430 842 833 -91 1236 -195 1198 94 1344 824 2521 1104 998 982 1189 1173 469 1168 232 1385 33 1400 -43 854 177 432 -127 669 -5 -804 -825 -1383 -370 -1333 58 -1232 241 -369 640 102 -269 -186 -829 368 -277 -88 -1126 -86 -749 568 1281 785 -1571 -1454 1210 -2251 -1283 -1062 -1268 -1052 -264 57 1562 1664 2257 596 -57 -542 -1093 241 -299 -69 577 762 1201 2816 457 771 988 1350 218 490 -915 -1488 609 -916 -917 -2074 830 -474 1247 SS 20220113T040138.0Z 8048.167801 96 1 50.89 2 81.65 109.93 147.69 265.21 0.00 1 0.00 1 0 25 3.125e-01 6.289e-03 2.446e-01 2.384e-03 7.049137e-01 1.301700e-03 6.841240e-03 -6.000000e+00 1.774867e-01 227.63 -2.00 3.06 -2.00 321.49 0.00e+00 4.297110e-03 6.769590e-04 2.527470e-03 -6.000000e+00 7.860905e-03 282.44 -2.00 20.00 -2.00 320.94 0.00e+00 6.483 0.002 302.00 328.00 3 3.8503e-01 4.6461e-03 6.4426e-02 -6.0000e+00 4.4096e-01 1.0542e-01 6.7828e-03 4.1868e-02 -6.0000e+00 4.7905e-01 -6.8663e-02 7.3146e-03 1.8124e-02 -6.0000e+00 2.8534e-01 1.1314e-02 3.4141e-03 9.0369e-03 -6.0000e+00 1.2131e-01 8.7950e-04 -1.0672e-03 6.6982e-05 7.2897e-05 -6.0000e+00 8.3547e-03 -5.0590e-03 10 0 0 10 0 0 10.94 19.37 0.29 -0.00506 -0.01308 275 59 2 8 0 179.140 15.00 19.37 22.00 21.69 21.58 19.7 899.56 -129363 -103831 -107843 -95403 -17636 -144076 -61326 -47165 -125684 -51466 -121289 -12588 -92691 18894 -31235 -46538 -52774 -28626 -21135 -22566 32623 -35906 5665 -21490 11000 -30526 -16045 -32011 -30053 -14969 -14009 -12741 -2950 -8075 -1667 5901 -20440 1078 -4622 -998 -462 -1465 -8221 -2998 -4831 2792 2461 1446 6577 2881 5482 2516 4937 320 3985 1087 1634 -874 377 732 2206 1495 2343 2837 -530 2586 216 2812 1289 -359 501 453 -573 281 92 -508 20 -188 690 -544 634 -1011 -2145 -1141 -738 -1091 -548 -402 133 -75 391 918 389 1207 606 526 630 535 -422 -288 -122 107 1434 368 -1714 -1738 2548 -1117 -119 -401 -503 -498 -263 222 442 1303 839 653 -176 -517 -853 102 -154 -394 75 168 634 1199 135 -53 32 52 105 349 -336 -500 121 214 -416 -232 245 -119 430 -451 -338 -401 -311 -41 -703 -143 -110 -731 -156 -790 -32 -690 62 -218 -465 -650 -313 -236 -273 235 -518 57 -310 125 -561 -261 -603 -559 -265 -300 -332 -82 -234 -48 158 -713 36 -205 -51 -27 -94 -598 -214 -359 199 182 113 520 256 534 286 607 45 578 170 262 -144 60 113 348 264 472 648 -134 624 53 696 361 -118 181 171 -217 99 30 -148 5 -52 214 -205 278 -519 -1227 -687 -472 -747 -393 -296 97 -53 256 560 230 732 417 423 590 528 -462 -317 -125 107 1283 333 -1700 -1828 2706 -1208 -141 -535 -751 -792 -420 343 644 1802 1170 956 -276 -845 -1381 156 -227 -565 102 242 878 1718 203 -91 61 107 225 791 -822 -1294 318 570 -1116 -597 588 -267 927 SS 20220113T041703.3Z 8048.178510 101 1 51.59 2 78.42 108.35 150.96 263.00 0.00 1 0.00 1 0 25 1.166e-01 5.766e-03 2.639e-02 7.858e-04 5.420998e-01 4.063234e-04 5.411743e-03 -6.000000e+00 6.623276e-02 227.63 -2.00 3.06 -2.00 320.56 0.00e+00 1.985770e-03 1.580105e-04 9.453819e-04 -6.000000e+00 2.933298e-03 282.44 -2.00 20.00 -2.00 319.94 0.00e+00 4.823 0.001 302.00 328.00 3 1.1970e-01 1.2564e-03 4.6607e-02 -6.0000e+00 1.6455e-01 4.1212e-02 1.6069e-03 2.6421e-02 -6.0000e+00 1.7876e-01 -1.4113e-02 1.5327e-03 1.2616e-02 -6.0000e+00 1.0648e-01 -5.4790e-03 7.6836e-04 4.6681e-03 -6.0000e+00 4.5270e-02 4.9661e-03 -7.4307e-04 2.2395e-05 4.1993e-05 -6.0000e+00 3.1174e-03 -5.6426e-03 11 1 0 11 8 0 4.85 19.37 0.24 -0.00564 -0.01123 734 158 2 8 0 66.900 15.00 19.37 23.11 21.58 21.58 19.7 905.03 -54651 -31251 -50122 -18411 -49641 -35731 -42662 -30873 -36328 -33185 -23620 -28019 -10606 -20035 -4237 -13252 -2523 -11420 -4684 -9472 -3449 -4312 155 -6806 -3806 -3771 -8217 -4675 -11373 800 -2330 3120 147 229 -3958 -1210 -1632 -1136 -693 -2203 -1631 -2243 -1387 -1736 755 -1681 931 189 220 1295 1592 916 1309 1217 157 1081 -410 221 -490 1006 1207 1620 1795 1444 -96 976 1231 835 2005 176 266 -486 -66 -195 -185 254 612 556 998 -208 -368 -787 -2023 -796 -1198 -814 -689 -455 -150 -3 926 785 1144 1549 1390 407 876 363 -468 -442 -59 -153 936 554 -1277 -826 -853 -602 -189 -149 -419 -314 -78 213 326 1141 841 582 -50 -838 -776 -253 -140 -229 565 162 1048 1587 354 150 84 -33 35 329 -386 -342 58 8 -532 -89 59 -14 332 -482 -254 -526 -137 -464 -285 -396 -293 -415 -397 -268 -369 -145 -379 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