File name: Pandora159s1_Wakkerstroom_20231218_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T113126.5Z 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_20231218_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: 20231218 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 20231218T135923.0Z 8752.582905 39 1 17.57 2 54.60 259.59 23.24 46.33 0.00 1 0.00 1 0 17 1.469e-02 9.549e-03 1.007e-02 4.131e-03 2.258033e-01 2.068280e-03 2.385377e-03 -6.000000e+00 8.344163e-03 227.86 -2.00 3.06 -2.00 316.80 0.00e+00 2.833547e-04 2.601429e-04 3.564100e-05 -6.000000e+00 3.677715e-04 281.35 -2.00 20.00 -2.00 316.09 0.00e+00 1.721 0.000 302.00 328.00 3 5.5956e+00 5.4197e-03 1.7297e-02 -6.0000e+00 2.0750e-02 3.6171e-02 6.0849e-03 1.0125e-02 -6.0000e+00 2.2551e-02 -1.4557e-02 3.5604e-03 4.9805e-03 -6.0000e+00 1.3421e-02 -2.7045e-03 1.6978e-03 1.4093e-03 -6.0000e+00 5.6897e-03 3.6878e-04 -3.0451e-04 1.1746e-04 1.6088e-05 -6.0000e+00 3.9294e-04 -8.3795e-03 0.0000e+00 12 9 9 12 9 1 99.42 20.21 0.39 -0.00838 -0.01067 5 4 1 8 0 2927.450 15.00 20.21 33.25 22.29 22.19 27.6 928.59 -1409 -2393 -1102 -3830 1443 -7050 4044 3033 1597 -2062 -1727 661 -1192 2187 -1058 -2902 472 -1179 -1516 4306 -106 9 -799 1750 1885 -1532 404 563 901 1165 42 2199 3527 -1170 990 2374 -734 99 -1205 -2050 -2129 178 -1772 -605 -560 -406 -1256 -839 304 496 1680 -189 1263 -166 1482 1967 1010 549 1550 -47 2148 1160 -57 1204 -1317 774 -85 445 1726 -335 -683 74 -286 179 -855 703 -1 567 1280 -262 -582 -2000 -1780 -1169 -580 -1309 -665 -664 -104 -524 541 -561 512 2095 660 -122 816 574 -600 -481 319 -508 706 -169 -1853 -913 4849 -1208 -159 -234 -172 209 -421 95 273 1141 855 797 471 -500 -712 -96 -398 -287 444 -81 1083 1114 -453 381 52 -121 -550 458 -159 -222 99 80 -345 -478 357 -529 305 -223 -413 -189 -627 201 -1019 556 473 278 -385 -315 120 -243 490 -274 -825 134 -349 -465 1292 -34 3 -257 576 651 -562 144 189 282 356 13 745 1261 -442 344 799 -275 43 -614 -1191 -1327 113 -1164 -396 -364 -264 -805 -523 183 299 1047 -127 872 -121 1086 1462 766 416 1146 -35 1617 932 -49 1080 -1193 643 -67 338 1373 -299 -655 73 -282 171 -778 580 -1 411 958 -218 -532 -1990 -1857 -1258 -654 -1571 -829 -846 -132 -648 627 -607 511 2012 670 -134 964 732 -803 -636 399 -600 796 -197 -2342 -1196 6277 -1690 -228 -350 -267 325 -641 137 366 1455 1088 1050 657 -734 -1072 -142 -582 -406 603 -106 1357 1397 -603 529 75 -178 -818 695 -253 -365 166 137 -592 -811 586 -853 480 SS 20231218T142705.0Z 8752.602142 50 1 51.69 2 60.62 257.19 19.54 30.95 0.00 1 0.00 1 0 25 1.069e-02 6.730e-03 1.563e-03 4.714e-04 2.522561e-01 2.352386e-04 2.675010e-03 -6.000000e+00 6.068353e-03 227.86 -2.00 3.06 -2.00 317.57 0.00e+00 2.813824e-04 3.587690e-05 8.119065e-05 -6.000000e+00 2.674662e-04 281.35 -2.00 20.00 -2.00 316.83 0.00e+00 2.030 0.000 302.00 328.00 3 2.1754e+00 6.2405e-04 2.0058e-02 -6.0000e+00 1.5090e-02 -2.4191e-02 7.0410e-04 1.1430e-02 -6.0000e+00 1.6400e-02 -7.5643e-04 4.2940e-04 5.6104e-03 -6.0000e+00 9.7602e-03 -2.9184e-03 2.1315e-04 1.5944e-03 -6.0000e+00 4.1379e-03 8.6159e-03 -1.3715e-04 1.3574e-05 1.7972e-05 -6.0000e+00 2.8577e-04 -8.3384e-03 0.0000e+00 11 8 0 10 0 0 98.58 20.22 0.24 -0.00834 -0.00937 480 103 2 8 0 102.960 15.02 20.22 34.59 22.29 22.19 27.4 932.93 -1831 -3436 -3500 -4715 -2103 -1621 72 -186 -614 -2047 -1443 985 -1089 -98 -331 -1006 -431 101 92 562 -281 795 1596 394 658 -173 -806 -398 1425 2049 1775 2321 1214 -1805 -710 534 -496 507 -477 -1373 -1508 -755 -1116 -928 -301 -901 -673 -407 -457 844 1068 684 1051 589 732 1112 504 447 905 1147 1605 1245 1135 529 -847 361 239 1009 1589 225 -204 -387 -335 -82 -237 481 446 825 1273 -356 -692 -1332 -1998 -877 -1048 -995 -614 -623 -339 -392 437 374 1047 1913 1311 659 672 231 -815 -573 -368 -209 790 655 -1068 -689 -501 -707 -58 -72 -221 -311 -1 159 457 1119 828 633 157 -556 -774 -172 -165 -41 719 362 1134 1651 554 433 139 -44 119 409 -230 -440 54 -100 -558 -225 -109 -389 28 -186 -385 -397 -504 -215 -158 7 -22 -79 -279 -193 132 -152 -16 -60 -201 -89 22 20 128 -66 183 372 98 173 -48 -220 -102 334 469 432 610 349 -544 -198 144 -148 176 -202 -679 -813 -422 -643 -537 -173 -519 -379 -223 -245 449 599 413 670 396 464 717 333 294 633 795 1145 880 873 435 -700 272 166 740 1141 186 -185 -366 -315 -74 -199 360 329 577 932 -274 -602 -1283 -2064 -939 -1203 -1131 -735 -769 -417 -464 514 400 1016 1788 1308 731 766 293 -1104 -762 -455 -256 912 787 -1311 -891 -676 -1000 -85 -113 -341 -485 -1 238 623 1424 1055 846 227 -863 -1233 -269 -251 -59 987 474 1515 2204 739 622 211 -68 187 669 -373 -753 94 -179 -1011 -396 -185 -636 48 SS 20231218T143243.3Z 8752.606057 53 1 49.26 2 61.84 256.70 18.97 27.20 0.00 1 0.00 1 0 25 1.532e-02 7.177e-03 1.558e-02 3.521e-03 2.626486e-01 1.757699e-03 2.769054e-03 -6.000000e+00 8.696979e-03 227.86 -2.00 3.06 -2.00 318.30 0.00e+00 -2.404982e-04 3.202098e-04 7.825739e-05 -6.000000e+00 3.833297e-04 281.35 -2.00 20.00 -2.00 317.55 0.00e+00 2.109 0.000 302.00 328.00 3 4.8652e+00 4.7403e-03 2.0858e-02 -6.0000e+00 2.1627e-02 -1.8008e-02 5.3880e-03 1.1890e-02 -6.0000e+00 2.3505e-02 1.0609e-02 3.4219e-03 5.8618e-03 -6.0000e+00 1.3988e-02 -9.4717e-03 1.7402e-03 1.6599e-03 -6.0000e+00 5.9301e-03 5.3717e-04 -1.9525e-04 1.0359e-04 1.8637e-05 -6.0000e+00 4.0957e-04 -8.1000e-03 0.0000e+00 11 8 0 10 0 0 99.99 20.23 0.30 -0.00810 -0.00957 158 34 4 8 0 311.690 15.03 20.23 33.90 22.29 22.19 27.0 926.40 -6401 476 -5047 -1213 4996 3383 3118 -412 580 -3741 617 -595 -3415 -1932 2602 988 671 -603 2292 673 612 -1524 -2266 1822 -2792 -352 -1621 1165 226 4686 1481 3676 2524 -2274 -208 -918 220 -613 1155 -2148 -1321 -2233 -666 -2238 -476 -836 44 -1080 -714 763 654 -105 49 2047 301 2355 220 794 431 1381 1694 1615 1571 427 -831 -40 30 -33 2119 186 -558 -98 444 -86 49 831 541 820 4 123 -1073 -969 -2426 -487 -1050 -466 -394 -387 -331 -475 429 500 714 1947 1361 626 883 367 -741 -624 -320 -462 1066 789 -1272 -581 -810 -439 32 80 -451 -166 -62 54 445 1764 822 650 246 -887 -943 -290 -138 -314 1019 100 1050 1551 526 528 410 65 -128 86 -348 -358 -15 -22 -543 -91 -142 25 152 -512 39 -440 -96 334 222 219 -34 53 -368 58 -58 -384 -245 360 151 108 -102 390 121 113 -284 -436 358 -610 -78 -360 237 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