File name: Pandora53s1_Potchefstroom-METSI_20230824_L2Fit_fout2c2d20230223p1-8.txt File generation date: 20240824T150745.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Stuart Piketh Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 53 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora53_OF_v5d20210210.txt Instrument calibration file used: Pandora53s1_CF_v2d20230223.txt Level 1 file used: Pandora53s1_Potchefstroom-METSI_20230824_L1_smca1c2d20230223p1-8.txt Full location name: Gerhard Minnebron Mooi River Ecosystem Trails for Scientific Investigations Short location name: Potchefstroom-METSI Country of location: South Africa Location latitude [deg]: -26.4907 Location longitude [deg]: 27.1322 Location altitude [m]: 1440 Local noon date: 20230824 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Modification of session 103 "redoing cal analysis" First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0454 305.1861 305.3267 305.4673 305.6079 305.7485 305.8891 306.0297 306.1702 306.3108 306.4513 306.5919 306.7324 306.8729 307.0134 307.1539 307.2943 307.4348 307.5752 307.7157 307.8561 307.9965 308.1369 308.2773 308.4177 308.5581 308.6984 308.8388 308.9791 309.1194 309.2597 309.4000 309.5403 309.6806 309.8209 309.9611 310.1014 310.2416 310.3818 310.5220 310.6622 310.8024 310.9426 311.0827 311.2229 311.3630 311.5031 311.6433 311.7834 311.9234 312.0635 312.2036 312.3437 312.4837 312.6237 312.7638 312.9038 313.0438 313.1837 313.3237 313.4637 313.6036 313.7436 313.8835 314.0234 314.1633 314.3032 314.4431 314.5830 314.7228 314.8627 315.0025 315.1424 315.2822 315.4220 315.5618 315.7015 315.8413 315.9811 316.1208 316.2605 316.4002 316.5400 316.6797 316.8193 316.9590 317.0987 317.2383 317.3780 317.5176 317.6572 317.7968 317.9364 318.0760 318.2155 318.3551 318.4946 318.6342 318.7737 318.9132 319.0527 319.1922 319.3317 319.4711 319.6106 319.7500 319.8894 320.0288 320.1683 320.3076 320.4470 320.5864 320.7257 320.8651 321.0044 321.1437 321.2831 321.4224 321.5616 321.7009 321.8402 321.9794 322.1187 322.2579 322.3971 322.5363 322.6755 322.8147 322.9538 323.0930 323.2321 323.3713 323.5104 323.6495 323.7886 323.9277 324.0668 324.2058 324.3449 324.4839 324.6229 324.7620 324.9010 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Azimuth motor temperature [°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 20230824T111353.6Z 8636.467982 4 1 39.48 2 40.31 336.90 64.33 104.32 0.00 1 0.00 1 0 17 7.168e-03 5.795e-03 1.122e-04 8.551e-05 1.615204e-01 4.564466e-05 1.758175e-03 -6.000000e+00 4.271252e-03 226.91 -2.00 3.06 -2.00 314.33 0.00e+00 1.087959e-03 3.464942e-06 9.268872e-05 -6.000000e+00 1.866100e-04 279.10 -2.00 20.00 -2.00 313.87 0.00e+00 1.310 0.000 302.00 328.00 3 5.4204e-02 1.1612e-04 1.3247e-02 -6.0000e+00 1.0596e-02 -3.9907e-03 1.2843e-04 7.4203e-03 -6.0000e+00 1.1479e-02 4.8144e-03 7.3632e-05 3.5936e-03 -6.0000e+00 6.8299e-03 -2.6520e-03 3.1756e-05 1.3141e-03 -6.0000e+00 2.8844e-03 1.4258e-01 -3.8260e-04 2.6240e-06 1.7021e-05 -6.0000e+00 2.1746e-04 -1.9484e-03 0.0000e+00 10 0 0 10 0 0 10.86 18.52 0.35 -0.00195 -0.00482 3541 654 1 5 0 10.600 21.48 15.05 18.52 35.81 59.60 15.8 983.20 -237 -480 -1437 -2241 -2276 -1589 -338 1388 1490 378 -587 -534 -38 579 843 410 61 102 468 681 648 661 555 499 533 302 -174 -301 155 584 1234 1763 1718 472 -670 -1205 -1205 -245 32 -338 -932 -959 -1170 -1027 -966 -818 -766 -701 -714 -155 366 772 1159 846 711 497 630 532 496 562 738 952 1161 843 567 -10 -632 -576 88 545 422 144 4 4 196 214 38 -60 -110 -182 -271 -797 -1367 -1448 -1373 -979 -591 -417 -332 154 266 341 208 421 615 682 463 398 304 328 -1 -575 -358 -139 -265 -333 -576 -643 -477 -157 31 0 18 -106 -5 76 136 279 180 113 14 23 -65 223 729 765 844 756 721 860 570 312 -62 -16 -178 -164 -75 -262 -291 -194 -276 -476 -582 -97 -199 -608 -960 -880 -611 -131 538 628 158 -247 -226 -17 272 437 218 34 58 271 383 370 376 318 294 326 190 -109 -180 91 326 694 1034 1006 285 -394 -728 -731 -159 24 -260 -761 -823 -993 -879 -825 -720 -659 -582 -597 -126 305 646 1014 744 643 457 585 494 455 514 689 903 1134 838 564 -10 -587 -528 82 535 423 153 5 4 202 208 35 -52 -97 -167 -266 -830 -1482 -1598 -1556 -1146 -708 -518 -416 188 313 379 224 441 628 747 521 476 375 407 -1 -661 -402 -157 -309 -402 -732 -828 -621 -208 43 0 25 -138 -7 92 160 337 224 146 19 30 -85 288 918 943 988 893 851 1068 720 394 -80 -22 -239 -226 -104 -374 -421 -277 -386 -665 -795 SS 20230824T111916.0Z 8636.471713 7 1 39.40 2 40.80 335.02 63.19 103.90 0.00 1 0.00 1 0 17 7.164e-03 5.787e-03 1.127e-04 8.555e-05 1.625820e-01 4.568471e-05 1.768908e-03 -6.000000e+00 4.268300e-03 226.91 -2.00 3.06 -2.00 314.35 0.00e+00 1.009653e-03 3.477610e-06 8.612794e-05 -6.000000e+00 1.864807e-04 279.10 -2.00 20.00 -2.00 313.88 0.00e+00 1.320 0.000 302.00 328.00 3 4.5143e-02 1.1625e-04 1.3337e-02 -6.0000e+00 1.0588e-02 -4.0470e-03 1.2859e-04 7.4432e-03 -6.0000e+00 1.1471e-02 5.1995e-03 7.3710e-05 3.6142e-03 -6.0000e+00 6.8252e-03 -2.8014e-03 3.1791e-05 1.2816e-03 -6.0000e+00 2.8825e-03 1.4246e-01 -3.8044e-04 2.6257e-06 1.6953e-05 -6.0000e+00 2.1731e-04 -1.9846e-03 0.0000e+00 10 0 0 10 0 0 18.09 18.54 0.33 -0.00198 -0.00484 3549 656 1 5 0 10.570 21.48 14.97 18.54 35.92 58.40 15.9 985.27 -231 -477 -1477 -2313 -2276 -1573 -304 1373 1507 384 -582 -525 -31 572 793 409 66 104 455 651 647 665 568 473 530 291 -163 -308 140 626 1228 1790 1690 465 -680 -1183 -1187 -264 54 -354 -925 -933 -1161 -1034 -937 -798 -760 -691 -693 -122 366 771 1145 851 698 489 642 510 499 545 706 934 1151 843 564 5 -610 -567 99 555 415 141 0 8 205 220 37 -72 -102 -175 -284 -785 -1377 -1457 -1378 -990 -592 -432 -336 138 270 343 202 418 622 679 446 415 287 327 -9 -584 -367 -135 -267 -329 -578 -645 -474 -169 44 -16 17 -113 -8 92 152 281 185 128 26 10 -71 237 712 760 841 758 725 871 583 312 -55 -21 -187 -164 -80 -261 -284 -184 -276 -490 -591 -93 -196 -620 -983 -873 -600 -117 528 631 160 -244 -221 -14 267 409 217 36 59 263 364 368 377 324 279 323 183 -102 -184 82 349 688 1046 987 280 -398 -713 -719 -171 39 -273 -755 -800 -984 -884 -799 -702 -653 -573 -578 -100 305 645 1002 748 632 450 597 474 459 499 660 886 1125 838 562 5 -567 -521 92 546 417 150 0 9 211 214 34 -63 -90 -161 -279 -820 -1495 -1611 -1565 -1161 -710 -538 -410 168 318 381 218 438 637 745 504 498 355 407 -11 -673 -412 -153 -312 -399 -715 -833 -619 -224 60 -22 23 -148 -11 111 179 340 231 166 34 14 -93 307 900 938 986 898 858 1084 739 396 -71 -28 -253 -227 -112 -374 -412 -265 -386 -687 -810 SS 20230824T112435.7Z 8636.475413 10 1 39.39 2 41.32 333.20 62.06 103.49 0.00 1 0.00 1 0 17 7.199e-03 5.788e-03 1.131e-04 8.584e-05 1.640821e-01 4.582074e-05 1.782895e-03 -6.000000e+00 4.289424e-03 226.91 -2.00 3.06 -2.00 314.36 0.00e+00 9.148023e-04 3.480174e-06 7.820190e-05 -6.000000e+00 1.874023e-04 279.10 -2.00 20.00 -2.00 313.88 0.00e+00 1.330 0.000 302.00 328.00 3 3.9989e-02 1.1657e-04 1.3441e-02 -6.0000e+00 1.0641e-02 -3.8753e-03 1.2896e-04 7.4774e-03 -6.0000e+00 1.1528e-02 4.8481e-03 7.3933e-05 3.6415e-03 -6.0000e+00 6.8589e-03 -2.7646e-03 3.1892e-05 1.2449e-03 -6.0000e+00 2.8968e-03 1.4159e-01 -3.8478e-04 2.6372e-06 1.6864e-05 -6.0000e+00 2.1838e-04 -2.1009e-03 0.0000e+00 10 0 0 10 0 0 24.00 18.55 0.34 -0.00210 -0.00499 3561 658 1 5 0 10.520 21.48 14.97 18.55 36.23 58.60 15.8 986.91 -212 -560 -1500 -2310 -2285 -1593 -298 1381 1482 409 -576 -519 -60 602 804 381 84 106 484 620 646 614 609 478 561 307 -180 -324 151 625 1222 1770 1682 476 -705 -1269 -1211 -277 70 -328 -929 -927 -1173 -1032 -945 -822 -779 -720 -727 -167 338 769 1126 856 735 515 646 534 522 576 734 934 1174 852 577 9 -616 -569 102 538 412 124 26 -2 204 206 23 -64 -126 -181 -287 -800 -1368 -1434 -1375 -987 -583 -428 -335 145 268 344 204 402 613 685 455 396 295 316 -3 -578 -369 -140 -274 -326 -578 -645 -461 -154 46 3 22 -97 -15 87 144 277 187 110 5 2 -65 227 711 767 831 757 716 876 575 322 -67 -19 -171 -165 -68 -253 -299 -195 -263 -487 -582 -84 -227 -620 -967 -864 -599 -113 525 614 179 -253 -229 -26 294 411 200 46 59 276 362 364 363 362 279 339 191 -112 -192 87 345 679 1026 975 284 -410 -759 -728 -178 50 -251 -753 -789 -1027 -877 -800 -717 -665 -593 -603 -135 280 640 980 748 661 472 597 494 477 524 682 882 1141 872 592 9 -570 -520 95 527 412 131 28 -2 209 200 21 -56 -111 -166 -281 -832 -1482 -1581 -1557 -1155 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