File name: Pandora159s1_Wakkerstroom_20250414_L2Fit_fwvt1c7d20231113p1-8.txt File generation date: 20250414T220700.0Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c7p1-8 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_v7d20231113.txt Level 1 file used: Pandora159s1_Wakkerstroom_20250414_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: 20250414 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: 1644 1794 Nominal wavelengths inside fitting window [nm]: 492.0151 492.1360 492.2568 492.3777 492.4985 492.6193 492.7401 492.8609 492.9817 493.1024 493.2231 493.3438 493.4645 493.5852 493.7059 493.8265 493.9471 494.0677 494.1883 494.3089 494.4295 494.5500 494.6705 494.7910 494.9115 495.0320 495.1525 495.2729 495.3933 495.5137 495.6341 495.7545 495.8748 495.9952 496.1155 496.2358 496.3561 496.4764 496.5966 496.7169 496.8371 496.9573 497.0775 497.1976 497.3178 497.4379 497.5580 497.6781 497.7982 497.9183 498.0383 498.1584 498.2784 498.3984 498.5184 498.6383 498.7583 498.8782 498.9981 499.1180 499.2379 499.3578 499.4776 499.5974 499.7172 499.8370 499.9568 500.0766 500.1963 500.3160 500.4357 500.5554 500.6751 500.7948 500.9144 501.0340 501.1536 501.2732 501.3928 501.5123 501.6319 501.7514 501.8709 501.9904 502.1098 502.2293 502.3487 502.4681 502.5875 502.7069 502.8263 502.9456 503.0649 503.1842 503.3035 503.4228 503.5421 503.6613 503.7805 503.8997 504.0189 504.1381 504.2572 504.3764 504.4955 504.6146 504.7337 504.8527 504.9718 505.0908 505.2098 505.3288 505.4478 505.5667 505.6857 505.8046 505.9235 506.0424 506.1613 506.2801 506.3990 506.5178 506.6366 506.7554 506.8741 506.9929 507.1116 507.2303 507.3490 507.4677 507.5863 507.7050 507.8236 507.9422 508.0608 508.1794 508.2979 508.4164 508.5350 508.6535 508.7719 508.8904 509.0088 509.1273 509.2457 509.3641 509.4824 509.6008 509.7191 509.8375 509.9558 --------------------------------------------------------------------------------------- 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: Water vapor slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor 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: Water vapor effective temperature [K] Column 28: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for water vapor [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Nitrogen dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen 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: Nitrogen dioxide effective temperature [K] Column 39: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for nitrogen dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 45: 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 46: 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 47: 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 48: 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 49: Ozone effective temperature [K] Column 50: 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 51: 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 52: 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 53: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 54: 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 55: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 56: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 57: Lower limit used for wavelength scaling [nm] Column 58: Upper limit used for wavelength scaling [nm] Column 59: Order of smoothing polynomial Column 60: Smoothing polynomial coefficient, order 0 Column 61: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 62: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 63: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 64: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 65: Smoothing polynomial coefficient, order 1 Column 66: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 67: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 68: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 69: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 70: Mean value of measured data inside fitting window [same units as measurements] Column 71: Wavelength change polynomial coefficient, order 0 Column 72: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 76: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 77: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 78: 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 79: 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 80: 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 81: 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 82: 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 83: 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 84: Atmospheric variability [%], 999=no atmospheric variability was determined Column 85: Wavelength effective temperature [°C], 999=no effective temperature given Column 86: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 87: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 88: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 89: Number of bright count cycles Column 90: Number of dark count cycles Column 91: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 92: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 93: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 94: Integration time [ms] 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: Temperature at electronics board 1 [°C], 999=no temperature signal Column 99: Temperature at electronics board 2 [°C], 999=no temperature signal Column 100: Humidity in head sensor [%], -9=no humidity signal Column 101: Pressure in head sensor [hPa], -9=no pressure signal Columns 102-252: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 253-403: 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 --------------------------------------------------------------------------------------- SQ 20250414T043830.4Z 9235.193408 221 1 47.46 2 85.89 77.09 81.93 255.30 0.00 1 0.00 1 0 22 5.091e-03 5.032e-03 3.158e-03 3.143e-03 7.297765e+03 1.991795e+02 5.209626e+02 -6.000000e+00 2.639253e+02 280.67 -2.00 20.00 -2.00 505.30 0.00e+00 7.937934e-04 8.393963e-05 5.164681e-05 -6.000000e+00 1.388498e-04 280.67 -2.00 20.00 -2.00 500.32 0.00e+00 9.997043e-01 6.078849e-02 4.681364e-02 -6.000000e+00 9.774435e-02 226.15 -2.00 3.06 -2.00 501.94 0.00e+00 11.323 0.009 489.00 513.00 1 7.2979e+00 4.6397e-03 1.3885e-02 -6.0000e+00 7.4681e-03 2.7792e-02 1.2046e-03 1.3797e-03 -6.0000e+00 1.9673e-03 3.2338e-04 1.6168e-04 2.4159e-04 6.1144e-05 -6.0000e+00 4.0865e-04 4.9823e-03 -6.5879e-05 12 8 8 10 0 0 60.70 19.66 1.72 0.00498 0.00610 12 3 1 2 0 3954.720 14.99 19.66 13.64 21.88 21.88 30.7 816.86 -1342 -705 -6 -563 70 436 404 374 893 847 456 -217 193 -653 215 -396 -556 -189 527 687 -408 -65 447 196 -457 801 281 459 301 -175 -963 34 162 286 -30 -329 863 -631 -430 -515 192 135 -290 -202 660 688 174 508 33 -176 -417 -764 -890 -635 -718 304 302 45 -111 142 -213 357 81 381 44 262 -345 382 45 -177 81 -485 -230 -335 -331 61 -468 25 91 -270 -907 -82 -775 -129 -836 298 -312 -148 570 -185 97 182 132 657 1024 -25 658 266 -279 -1200 -661 -1214 -271 -391 -774 693 -452 -236 -844 -75 -709 214 629 369 1043 21 891 213 1005 152 177 -321 661 -691 263 656 407 -90 430 495 497 -303 -747 122 -619 -191 -267 -105 182 1055 -58 -84 609 -313 443 -341 221 -55 -753 -436 -308 -1271 -667 -6 -568 72 454 429 403 960 902 479 -227 198 -664 215 -398 -566 -194 556 737 -442 -70 480 212 -498 866 304 492 319 -179 -966 33 162 294 -32 -359 926 -678 -455 -540 199 141 -305 -215 704 740 187 539 35 -182 -420 -748 -857 -608 -701 304 311 47 -116 147 -221 370 85 397 46 269 -351 379 45 -173 78 -467 -222 -328 -328 61 -459 24 86 -253 -853 -77 -741 -122 -808 290 -306 -145 551 -179 94 177 131 656 1007 -24 619 244 -250 -1065 -575 -1069 -243 -366 -761 684 -449 -230 -813 -72 -688 210 620 367 1034 21 890 216 1019 153 176 -314 630 -665 254 634 395 -88 415 476 481 -291 -703 113 -573 -177 -253 -102 177 1036 -58 -85 611 -319 449 -347 222 -54 -725 -414 -293 SQ 20250414T045152.5Z 9235.202691 224 1 49.08 2 83.01 75.49 84.69 253.87 0.00 1 0.00 1 0 15 3.790e-03 3.747e-03 1.967e-03 1.956e-03 5.339382e+03 1.192180e+02 3.960713e+02 -6.000000e+00 1.965393e+02 280.67 -2.00 20.00 -2.00 505.24 0.00e+00 6.179539e-04 5.217437e-05 4.100840e-05 -6.000000e+00 1.033624e-04 280.67 -2.00 20.00 -2.00 500.24 0.00e+00 7.523890e-01 3.797358e-02 3.266130e-02 -6.000000e+00 7.271406e-02 226.15 -2.00 3.06 -2.00 501.85 0.00e+00 7.557 0.003 489.00 513.00 1 7.1104e+00 2.9053e-03 9.3042e-03 -6.0000e+00 5.5566e-03 2.6899e-02 7.5587e-04 9.6946e-04 -6.0000e+00 1.4623e-03 6.1878e-04 -3.3235e-04 1.5120e-04 4.6480e-05 -6.0000e+00 3.0417e-04 -6.5193e-03 6.2549e-05 10 0 0 10 0 0 -72.65 19.65 1.83 -0.00652 -0.00882 15 3 1 2 0 3271.390 15.00 19.65 14.65 21.88 21.88 30.5 821.47 -731 -553 107 202 107 209 140 858 355 616 145 185 -536 -278 -321 -175 -280 102 129 121 303 -461 654 133 268 253 282 259 456 -416 -197 -217 -293 -365 -171 323 201 -200 -515 -76 -202 335 -542 489 94 424 342 283 39 -653 -79 -867 -421 -882 -733 -57 174 -51 414 211 124 638 502 104 12 212 -167 -202 -373 -220 -198 -281 -322 -7 23 -84 255 -289 -353 -662 -46 -406 151 -393 -447 -97 200 -1 -435 -247 257 253 107 585 499 389 420 355 42 -797 -1163 -672 -594 -352 108 117 209 -368 -102 -705 -212 -122 505 78 562 91 192 407 354 444 -284 488 63 484 106 122 91 -29 305 360 188 -78 -98 -444 169 -371 13 -287 401 142 349 -146 244 382 89 414 -500 31 -701 -444 146 -713 -543 108 212 108 217 148 917 382 654 151 191 -550 -279 -320 -174 -281 105 137 131 327 -502 703 144 291 277 307 280 484 -426 -195 -215 -293 -379 -185 356 219 -215 -550 -80 -211 350 -578 523 103 463 372 305 41 -684 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-6.0000e+00 1.3483e-03 6.7422e-04 -2.8628e-05 1.3538e-04 4.4287e-05 -6.0000e+00 2.8034e-04 -5.3704e-03 3.6307e-05 10 0 0 10 0 0 -18.56 19.65 1.74 -0.00537 -0.00557 17 4 1 2 0 2961.700 14.99 19.65 15.08 21.88 21.88 30.6 823.60 -830 -513 -476 -48 -39 498 326 317 577 146 442 256 15 -401 -210 -389 -49 -45 241 52 63 -129 212 300 -118 652 186 461 -45 -276 -492 -119 176 -6 170 221 204 -183 -203 -143 -196 -19 9 -231 190 184 159 291 274 -218 -345 -676 -668 -778 -787 -64 -25 268 262 -170 236 533 333 380 333 119 -92 9 44 -365 0 -716 202 -323 -278 -9 -89 -251 -255 -523 -369 74 -289 93 -241 14 162 341 -189 -171 234 164 354 412 454 152 493 201 78 -712 -502 -650 -781 -240 -459 352 -225 -135 -777 -204 -269 72 281 -45 418 495 31 565 443 565 192 -224 -91 -27 204 219 185 63 -6 199 200 96 -6 -9 -856 -187 -286 219 -27 404 141 136 272 246 589 312 -62 -575 -339 -781 -106 -804 -498 -473 -49 -40 528 352 347 630 158 472 270 15 -414 -215 -398 -50 -47 258 56 69 -141 230 325 -129 710 202 498 -48 -285 -495 -120 178 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