File name: Pandora53s1_Potchefstroom-METSI_20250131_L2Fit_fout2c2d20230223p1-8.txt File generation date: 20250131T223230.9Z 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 v1.8.70 Instrument operation file used: Pandora53_OF_v5d20210210.txt Instrument calibration file used: Pandora53s1_CF_v2d20230223.txt Level 1 file used: Pandora53s1_Potchefstroom-METSI_20250131_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: 20250131 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 20250131T101426.3Z 9162.426693 5 1 28.94 2 9.56 15.27 30.88 64.04 0.00 1 0.00 1 0 17 6.972e-03 5.924e-03 1.112e-04 9.352e-05 1.194699e-01 5.041460e-05 1.305270e-03 -6.000000e+00 4.162253e-03 227.66 -2.00 3.06 -2.00 313.63 0.00e+00 2.921173e-04 3.458521e-06 2.727580e-05 -6.000000e+00 1.856836e-04 284.64 -2.00 20.00 -2.00 313.17 0.00e+00 1.014 0.000 302.00 328.00 3 3.2315e-01 1.2770e-04 1.0104e-02 -6.0000e+00 1.0323e-02 -2.1709e-02 1.4067e-04 5.4165e-03 -6.0000e+00 1.1171e-02 9.2918e-03 8.1092e-05 2.6569e-03 -6.0000e+00 6.6653e-03 -4.2107e-03 3.4530e-05 7.8223e-04 -6.0000e+00 2.8216e-03 1.5476e-01 6.9032e-05 2.8652e-06 1.2452e-05 -6.0000e+00 2.1165e-04 7.0578e-03 0.0000e+00 10 0 0 10 0 0 75.85 18.70 0.36 0.00706 0.00758 2619 484 1 5 0 10.450 21.58 14.99 18.70 39.69 64.70 19.6 971.69 -9 -576 -1601 -2200 -1811 -882 370 1747 1501 249 -455 -208 92 558 599 122 -40 80 481 588 490 597 546 431 438 92 -393 -339 325 835 1404 1892 1461 126 -679 -956 -896 -84 -34 -642 -1118 -1009 -1264 -1104 -970 -884 -824 -726 -646 1 452 758 1104 751 677 501 578 509 547 667 836 1033 1107 655 370 -49 -505 -214 390 531 293 7 -29 9 180 245 130 156 83 -108 -352 -924 -1380 -1341 -1265 -918 -579 -484 -434 32 185 272 304 618 709 694 436 307 142 180 -101 -461 -108 18 -356 -393 -625 -660 -392 -143 -5 -128 -45 -133 57 258 299 392 216 70 -67 -45 -100 227 718 713 945 921 772 850 445 258 -33 89 -164 -212 -74 -290 -337 -218 -322 -482 -513 -5 -305 -855 -1104 -862 -416 177 845 791 130 -237 -108 50 314 368 76 -26 52 317 394 317 403 371 288 303 65 -276 -225 209 534 896 1183 955 84 -436 -601 -598 -60 -26 -547 -999 -904 -1161 -1018 -888 -800 -753 -635 -565 1 391 656 995 678 626 470 547 481 511 622 798 1000 1140 680 381 -49 -477 -199 371 513 299 7 -30 9 187 240 119 139 73 -99 -345 -957 -1477 -1455 -1410 -1057 -703 -590 -533 38 219 303 318 627 727 735 489 363 172 217 -121 -516 -119 21 -414 -472 -763 -840 -500 -184 -7 -172 -58 -170 68 297 336 454 259 87 -84 -58 -126 283 870 846 1100 1050 876 1011 535 318 -41 110 -213 -282 -98 -399 -457 -301 -434 -633 -680 SS 20250131T101455.5Z 9162.427032 5 2 29.08 2 9.53 14.59 30.78 63.91 0.00 1 0.00 1 0 17 6.994e-03 5.957e-03 1.104e-04 9.281e-05 1.194029e-01 5.011369e-05 1.304404e-03 -6.000000e+00 4.175938e-03 227.66 -2.00 3.06 -2.00 313.62 0.00e+00 2.927871e-04 3.423019e-06 2.716305e-05 -6.000000e+00 1.862946e-04 284.64 -2.00 20.00 -2.00 313.16 0.00e+00 1.014 0.000 302.00 328.00 3 3.0724e-01 1.2695e-04 1.0101e-02 -6.0000e+00 1.0357e-02 -2.1527e-02 1.3983e-04 5.4143e-03 -6.0000e+00 1.1208e-02 9.3054e-03 8.0620e-05 2.6564e-03 -6.0000e+00 6.6872e-03 -4.1975e-03 3.4255e-05 7.8206e-04 -6.0000e+00 2.8309e-03 1.5727e-01 6.0085e-05 2.8445e-06 1.2536e-05 -6.0000e+00 2.1234e-04 7.0802e-03 0.0000e+00 10 0 0 10 0 0 52.00 18.70 0.36 0.00708 0.00753 2619 484 1 5 0 10.450 21.58 14.99 18.70 39.71 64.40 19.6 972.00 -5 -548 -1570 -2191 -1801 -893 420 1754 1523 242 -440 -232 97 600 630 137 -27 77 474 592 483 619 588 448 457 80 -369 -353 327 876 1416 1867 1452 130 -668 -986 -914 -74 -37 -611 -1099 -1016 -1272 -1106 -989 -871 -858 -711 -631 31 444 782 1102 773 681 516 585 500 549 661 872 1023 1110 676 371 -46 -498 -196 392 523 299 6 -42 -9 191 244 132 160 113 -115 -355 -911 -1399 -1343 -1268 -920 -605 -483 -429 33 194 276 305 614 724 692 431 289 143 177 -109 -474 -104 11 -362 -395 -629 -652 -401 -143 0 -118 -47 -149 54 258 307 397 234 55 -52 -35 -94 242 713 734 949 907 786 834 450 251 -43 69 -156 -214 -75 -303 -337 -232 -326 -483 -511 -3 -292 -844 -1106 -863 -424 190 854 763 127 -230 -121 53 340 390 86 -17 50 313 380 315 401 383 301 318 57 -261 -236 211 564 910 1175 954 87 -431 -623 -615 -54 -28 -523 -988 -916 -1175 -1026 -912 -792 -788 -625 -555 26 386 681 999 702 633 487 557 476 516 619 836 997 1109 706 384 -46 -473 -183 361 508 306 6 -44 -10 192 240 122 142 101 -106 -350 -949 -1505 -1466 -1422 -1066 -717 -593 -531 40 224 310 321 627 747 737 486 332 175 215 -126 -533 -116 12 -424 -477 -772 -808 -514 -186 0 -159 -62 -186 66 299 347 462 282 69 -66 -46 -118 303 869 876 1074 1040 897 998 544 310 -52 86 -198 -278 -101 -406 -459 -312 -442 -638 -682 SS 20250131T101951.5Z 9162.430458 8 1 29.07 2 9.32 7.51 29.83 62.50 0.00 1 0.00 1 0 17 7.017e-03 5.966e-03 1.083e-04 9.107e-05 1.193604e-01 4.920477e-05 1.303942e-03 -6.000000e+00 4.189764e-03 227.66 -2.00 3.06 -2.00 313.62 0.00e+00 2.940094e-04 3.358328e-06 2.729938e-05 -6.000000e+00 1.869081e-04 284.64 -2.00 20.00 -2.00 313.16 0.00e+00 1.013 0.000 302.00 328.00 3 2.7004e-01 1.2465e-04 1.0096e-02 -6.0000e+00 1.0391e-02 -2.0822e-02 1.3727e-04 5.4122e-03 -6.0000e+00 1.1245e-02 9.4720e-03 7.9135e-05 2.6553e-03 -6.0000e+00 6.7093e-03 -4.2597e-03 3.3640e-05 7.8238e-04 -6.0000e+00 2.8403e-03 1.6327e-01 5.1556e-05 2.7925e-06 1.2555e-05 -6.0000e+00 2.1304e-04 6.9201e-03 0.0000e+00 10 0 0 10 0 0 16.32 18.73 0.35 0.00692 0.00731 2725 504 1 5 0 10.040 21.58 15.00 18.73 39.89 64.70 19.6 973.54 -1 -555 -1594 -2200 -1815 -897 369 1746 1543 259 -455 -233 104 580 641 166 -3 77 473 621 525 629 561 442 434 94 -368 -347 330 870 1425 1900 1459 128 -696 -954 -926 -108 -16 -625 -1084 -1030 -1266 -1100 -992 -905 -827 -716 -623 -7 453 777 1114 756 671 522 597 496 541 672 857 1035 1122 665 371 -43 -505 -215 404 523 297 6 -40 9 188 236 127 154 100 -116 -350 -913 -1397 -1351 -1264 -918 -591 -477 -450 25 190 271 310 619 726 684 438 308 140 167 -105 -472 -96 28 -349 -398 -643 -665 -405 -131 -5 -123 -42 -134 58 251 299 396 234 48 -59 -33 -77 250 715 730 946 913 791 838 447 249 -36 64 -160 -211 -84 -295 -337 -230 -323 -478 -508 -1 -296 -858 -1112 -870 -426 167 850 773 136 -238 -122 57 329 397 104 -2 50 313 399 341 407 366 297 302 67 -261 -232 213 560 915 1195 959 86 -449 -603 -622 -78 -13 -535 -975 -929 -1170 -1021 -915 -824 -760 -630 -548 -6 394 677 1010 686 624 492 568 472 508 629 822 1008 1121 694 384 -43 -480 -201 371 508 304 6 -42 10 189 233 117 138 89 -107 -345 -950 -1502 -1473 -1416 -1062 -699 -584 -556 30 219 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