File name: Pandora53s1_Potchefstroom-METSI_20240804_L2Fit_fout2c2d20230223p1-8.txt File generation date: 20240824T171548.5Z 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_20240804_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: 20240804 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 20240804T061132.4Z 8982.258014 105 1 49.79 2 73.92 60.97 76.75 56.26 0.00 1 0.00 1 0 25 2.750e-01 2.863e-02 9.612e-02 3.040e-03 4.291044e-01 1.591260e-03 4.480630e-03 -6.000000e+00 1.635763e-01 226.32 -2.00 3.06 -2.00 318.84 0.00e+00 -4.852988e-03 3.684192e-04 4.247897e-04 -6.000000e+00 7.155886e-03 278.95 -2.00 20.00 -2.00 318.22 0.00e+00 3.552 0.000 302.00 328.00 3 4.9310e+00 4.3581e-03 3.5642e-02 -6.0000e+00 4.0524e-01 -2.8626e-02 5.0141e-03 1.9631e-02 -6.0000e+00 4.3915e-01 7.9542e-02 3.7418e-03 1.0638e-02 -6.0000e+00 2.6139e-01 -5.5060e-02 1.9807e-03 5.5414e-03 -6.0000e+00 1.1058e-01 1.1411e-04 -9.4171e-04 9.3278e-05 5.6675e-05 -6.0000e+00 8.3399e-03 -5.9000e-03 0.0000e+00 12 8 8 10 0 0 98.66 17.49 0.75 -0.00590 -0.01298 13 2 1 5 0 3829.060 20.56 15.00 17.49 20.50 44.10 17.1 860.41 11447 -36335 -32388 296074 25 5555 66883 43580 14193 9958 41907 -123 32898 11022 10953 -35396 -1062 -3881 1513 1751 -9365 1708 1397 -4087 2256 2807 3749 3452 7975 2306 5287 1834 -2678 -245 -5437 -7409 -7513 -4168 -378 -1117 -467 303 1058 3119 -1431 -836 866 -1340 -1350 -1180 -280 453 771 2891 1214 2451 3368 6335 5993 4441 2249 3213 -1236 2501 2181 1628 1270 1636 1879 2786 -757 779 1040 -30339 3470 2747 2380 -4020 -41 829 102 375 -535 -702 -827 516 560 1201 1389 1797 1653 2839 2373 1072 3305 715 983 823 456 747 460 -406 42 214 -1122 -1001 -1324 -781 -791 -429 5 20 109 423 696 670 586 -471 -349 -555 -365 -688 -288 100 827 626 -195 605 -227 -228 368 -190 -432 -734 -776 42 -341 -155 217 378 143 374 468 194 -1099 -1000 878 1 111 804 768 380 309 1007 -5 1057 504 588 -3363 -79 -317 125 152 -945 159 137 -464 266 345 468 429 903 274 654 256 -433 -41 -957 -1324 -1418 -892 -93 -324 -150 104 377 1108 -533 -310 314 -496 -504 -455 -112 196 354 1372 623 1272 1793 3379 3163 2344 1205 1810 -765 1620 1472 1078 807 1028 1247 2012 -606 640 863 -30634 2648 1957 1584 -2731 -28 611 83 332 -505 -695 -860 557 628 1366 1589 2029 1788 2906 2320 1036 3274 765 1141 1038 606 993 597 -506 50 251 -1386 -1276 -1755 -1071 -1121 -636 7 32 174 663 1049 965 837 -687 -529 -866 -575 -1079 -444 150 1214 894 -274 837 -330 -347 585 -317 -729 -1281 -1397 78 -653 -299 423 722 269 683 836 SS 20240804T062313.8Z 8982.266133 108 1 50.30 2 71.65 59.26 74.64 54.63 0.00 1 0.00 1 0 25 1.846e-02 5.713e-03 9.218e-03 1.535e-03 3.757335e-01 7.994192e-04 3.943099e-03 -6.000000e+00 1.097682e-02 226.32 -2.00 3.06 -2.00 318.13 0.00e+00 6.536751e-04 1.476629e-04 2.279672e-04 -6.000000e+00 4.802422e-04 278.95 -2.00 20.00 -2.00 317.49 0.00e+00 3.137 0.000 302.00 328.00 3 4.0935e+00 2.1401e-03 3.1389e-02 -6.0000e+00 2.7194e-02 -1.5248e-02 2.4206e-03 1.7015e-02 -6.0000e+00 2.9471e-02 8.5523e-03 1.5963e-03 8.3536e-03 -6.0000e+00 1.7541e-02 -9.7201e-03 8.2744e-04 2.4892e-03 -6.0000e+00 7.4197e-03 3.9401e-04 -2.8569e-04 4.7309e-05 3.0505e-05 -6.0000e+00 5.5975e-04 -4.8104e-03 0.0000e+00 10 0 0 10 0 0 76.08 17.51 0.21 -0.00481 -0.00696 40 7 1 5 0 1257.320 20.67 15.01 17.51 20.88 44.10 17.2 863.52 -2201 -10785 -6144 6016 -6745 -1478 3185 914 -1814 -2272 4565 -3313 4524 3235 2567 -6390 -362 265 1109 -460 -98 485 813 -915 -897 598 403 370 1727 1346 1433 1961 1374 -149 -1032 -3295 -2816 -2705 -1194 -886 -811 -757 -1415 -34 -1239 -778 -1023 -542 -228 186 364 430 1041 962 638 741 536 1335 1085 535 417 1325 535 1066 1209 333 74 -176 161 903 89 151 65 803 182 20 30 -1705 -691 10 -362 -981 -1163 -1618 -1394 -975 -308 -260 -54 372 637 805 401 427 1037 749 434 756 436 604 -199 -938 -580 -180 -755 -419 -834 -571 -578 38 -63 179 140 -133 -201 -144 182 -83 -18 2 -162 -236 -372 -5 629 574 637 803 725 825 695 376 38 2 -343 206 -120 -140 -192 -159 -202 -281 -387 -102 -618 -353 298 -353 -71 153 50 -114 -154 300 -251 361 296 278 -825 -48 37 163 -72 -16 78 134 -163 -170 113 77 72 316 248 283 411 319 -37 -254 -820 -747 -798 -401 -337 -334 -334 -654 -16 -589 -370 -487 -255 -107 89 179 229 574 565 382 458 340 843 677 333 266 868 376 804 913 252 53 -125 120 725 75 135 59 699 154 16 22 -1229 -511 8 -312 -928 -1171 -1695 -1515 -1102 -357 -305 -64 438 718 858 409 432 1064 830 517 958 574 805 -261 -1173 -689 -216 -946 -533 -1099 -774 -816 56 -96 282 219 -203 -293 -205 253 -118 -26 3 -252 -366 -563 -7 903 803 873 1092 1021 1209 1073 600 61 3 -592 360 -218 -256 -353 -289 -359 -488 -664 SS 20240804T063028.3Z 8982.271160 112 1 50.31 2 70.27 58.16 73.35 53.59 0.00 1 0.00 1 0 25 1.372e-02 5.332e-03 5.287e-03 1.165e-03 3.506616e-01 6.063570e-04 3.668553e-03 -6.000000e+00 8.162618e-03 226.32 -2.00 3.06 -2.00 317.75 0.00e+00 5.891608e-04 1.000320e-04 9.579196e-05 -6.000000e+00 3.570921e-04 278.95 -2.00 20.00 -2.00 317.12 0.00e+00 2.930 0.000 302.00 328.00 3 3.7803e+00 1.6110e-03 2.9260e-02 -6.0000e+00 2.0222e-02 -1.9871e-02 1.8125e-03 1.5724e-02 -6.0000e+00 2.1914e-02 7.4802e-03 1.1417e-03 7.7457e-03 -6.0000e+00 1.3044e-02 -8.0096e-03 5.8094e-04 2.2794e-03 -6.0000e+00 5.5181e-03 6.6253e-04 -1.4731e-04 3.5921e-05 2.8212e-05 -6.0000e+00 4.1618e-04 -5.6719e-03 0.0000e+00 10 0 0 10 0 0 70.21 17.54 0.41 -0.00567 -0.00678 60 11 1 5 0 838.390 20.67 15.00 17.54 21.28 47.40 17.3 866.24 -5980 -1647 -7694 1527 -7057 -2990 -487 -2834 680 -1136 1541 -2444 1249 2743 1410 -1366 -999 324 -129 250 -307 -604 1211 -85 869 -383 -716 -780 241 619 708 2304 1086 268 -1027 -2259 -2728 -1280 -646 -741 -774 -727 -759 -388 -757 -550 -727 -616 -692 170 329 513 1027 1178 562 862 656 940 690 863 754 1327 982 1144 962 323 -217 -97 153 929 31 11 117 -275 600 -135 78 -1128 -258 189 -1 -901 -1575 -1248 -1521 -864 -412 -28 -119 281 454 591 406 299 910 488 483 459 333 223 -134 -862 -527 -276 -799 -618 -814 -649 -484 27 45 -23 169 -125 12 66 106 167 255 103 -140 -15 -271 180 658 599 605 803 679 747 680 84 -92 53 -154 -6 -36 -105 -232 -87 -216 -512 -349 -401 -119 -617 108 -506 -198 -33 -218 56 -103 140 -224 125 316 192 -216 -170 58 -24 49 -62 -124 251 -17 188 -88 -166 -175 51 130 159 562 294 77 -292 -640 -831 -412 -247 -311 -363 -364 -396 -206 -405 -295 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