File name: Pandora131s1_Palau_20230804_L2Fit_fout2c8d20220731p1-8.txt File generation date: 20230805T111743.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c8p1-8 Local principal investigator: Katrin Mueller Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 131 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora131_OF_v3d20200610.txt Instrument calibration file used: Pandora131s1_CF_v8d20220731.txt Level 1 file used: Pandora131s1_Palau_20230804_L1_smca1c8d20220731p1-8.txt Full location name: Palau Atmospheric Observatory Short location name: Palau Country of location: Palau Location latitude [deg]: 7.3420 Location longitude [deg]: 134.4722 Location altitude [m]: 23 Local noon date: 20230804 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, radiometric temperature correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB data based on session 7 First and last pixel inside fitting window: 229 370 Nominal wavelengths inside fitting window [nm]: 305.1357 305.2767 305.4177 305.5587 305.6997 305.8406 305.9816 306.1225 306.2634 306.4044 306.5453 306.6862 306.8270 306.9679 307.1088 307.2496 307.3905 307.5313 307.6721 307.8129 307.9537 308.0945 308.2353 308.3760 308.5168 308.6575 308.7982 308.9389 309.0796 309.2203 309.3610 309.5017 309.6423 309.7830 309.9236 310.0642 310.2048 310.3454 310.4860 310.6266 310.7672 310.9077 311.0483 311.1888 311.3293 311.4698 311.6103 311.7508 311.8913 312.0317 312.1722 312.3126 312.4530 312.5935 312.7339 312.8743 313.0146 313.1550 313.2954 313.4357 313.5761 313.7164 313.8567 313.9970 314.1373 314.2776 314.4178 314.5581 314.6983 314.8386 314.9788 315.1190 315.2592 315.3994 315.5395 315.6797 315.8199 315.9600 316.1001 316.2402 316.3804 316.5204 316.6605 316.8006 316.9407 317.0807 317.2207 317.3608 317.5008 317.6408 317.7808 317.9207 318.0607 318.2007 318.3406 318.4805 318.6205 318.7604 318.9003 319.0401 319.1800 319.3199 319.4597 319.5996 319.7394 319.8792 320.0190 320.1588 320.2986 320.4384 320.5781 320.7179 320.8576 320.9973 321.1370 321.2767 321.4164 321.5561 321.6957 321.8354 321.9750 322.1147 322.2543 322.3939 322.5335 322.6731 322.8126 322.9522 323.0917 323.2313 323.3708 323.5103 323.6498 323.7893 323.9288 324.0682 324.2077 324.3471 324.4865 324.6260 324.7654 324.9048 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 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1110 1310 1331 -259 -269 1014 58 1724 -1053 1094 565 873 -397 -606 -724 -1106 -362 -1238 671 -331 556 -249 538 -470 55 -1533 311 -808 -648 258 -344 289 -1702 214 -232 -1700 -121 -1920 -390 -1302 1038 -181 -1272 232 -1480 1696 -523 1258 382 2461 -367 -1093 808 19 1812 312 679 -47 1507 495 815 -519 132 -171 -783 448 -650 145 713 1161 -1337 -137 -1401 -257 522 SS 20230803T213616.8Z 8615.900195 194 1 49.42 2 81.18 73.45 69.36 255.48 0.00 1 0.00 1 0 17 3.307e-01 7.526e-03 2.441e-01 4.005e-03 6.464867e-01 2.176589e-03 6.350947e-03 -6.000000e+00 1.852847e-01 227.52 -2.00 3.05 -2.00 321.56 0.00e+00 1.434928e-03 1.204925e-03 1.431939e-03 -6.000000e+00 9.464942e-03 294.25 -2.00 20.00 -2.00 320.90 0.00e+00 6.162 0.000 302.00 328.00 3 -1.2638e-01 8.4900e-03 6.7525e-02 -6.0000e+00 4.5887e-01 9.0391e-02 1.2287e-02 3.1069e-02 -6.0000e+00 4.9807e-01 -5.1707e-02 1.1965e-02 1.6684e-02 -6.0000e+00 2.9893e-01 9.5873e-03 5.5559e-03 5.3394e-03 -6.0000e+00 1.3222e-01 7.3950e-04 1.0226e-03 1.1388e-04 6.2992e-05 -6.0000e+00 8.6731e-03 3.5014e-02 0.0000e+00 11 8 0 10 0 0 -11.49 17.83 0.25 0.03501 0.04270 155 34 4 8 0 317.040 20.00 17.83 34.17 26.00 25.90 34.7 1005.16 900000 -15934 900000 -203573 -56021 -128512 -2797 -117482 -120096 900000 -107497 900000 -57601 84984 -33621 -6592 19957 -45936 44765 -15501 69683 13557 30418 -4733 33468 -114141 9371 -20941 -6499 57907 -10753 13142 6138 6386 -15286 1290 8656 -3020 18046 -7505 10338 -73 7944 883 4342 8012 -2779 2507 -2966 4842 -3731 3148 1308 3212 4009 3246 5135 -768 4201 213 2266 2766 3535 2620 -109 3829 1376 1632 -451 -136 1014 -379 2129 686 3766 -2185 696 -1905 160 -1174 -527 -1136 -1719 -786 -1666 -87 -555 637 322 1430 1088 523 1752 -644 640 -378 517 -285 -327 -2 -403 959 -595 -754 -1252 -385 -699 -260 16 -369 71 -76 21 -114 769 -171 147 406 -399 40 -35 411 -381 491 127 709 1153 373 360 -587 -24 -172 -68 6 -137 222 266 241 -250 -211 -386 31 900000 -62 900000 -2383 -219 -752 -11 -840 -976 900000 -909 900000 -487 332 -350 -60 156 -762 320 -212 445 145 307 -75 392 -5550 140 -415 -118 659 -274 338 171 187 -500 39 294 -144 850 -523 655 -5 563 68 332 606 -243 218 -292 493 -436 409 176 454 591 502 783 -121 662 33 383 533 770 615 -26 846 320 421 -139 -47 360 -136 705 211 1081 -617 192 -560 55 -484 -248 -593 -958 -464 -1063 -58 -383 434 213 871 620 286 971 -411 469 -325 505 -309 -357 -2 -367 784 -499 -689 -1220 -391 -761 -309 21 -551 112 -120 32 -164 1046 -236 213 626 -648 65 -54 608 -552 678 169 900 1515 562 618 -1114 -48 -362 -152 14 -348 574 700 637 -639 -507 -868 67 SS 20230803T214918.2Z 8615.909239 199 1 51.23 2 78.09 73.70 72.39 256.22 0.00 1 0.00 1 0 25 9.816e-02 4.096e-03 4.582e-02 1.411e-03 5.117626e-01 7.251057e-04 5.080484e-03 -6.000000e+00 5.499057e-02 227.52 -2.00 3.05 -2.00 320.67 0.00e+00 1.802216e-03 3.051916e-04 2.413621e-04 -6.000000e+00 2.564255e-03 294.25 -2.00 20.00 -2.00 319.89 0.00e+00 4.692 0.000 302.00 328.00 3 -2.1405e-01 2.3815e-03 5.1575e-02 -6.0000e+00 1.3608e-01 5.8161e-02 3.1000e-03 2.3373e-02 -6.0000e+00 1.4763e-01 -3.7486e-03 2.7432e-03 1.1844e-02 -6.0000e+00 8.8545e-02 -1.2255e-02 1.3696e-03 4.5588e-03 -6.0000e+00 3.8496e-02 3.6554e-03 1.0751e-03 3.9703e-05 4.1730e-05 -6.0000e+00 2.5241e-03 3.5843e-02 0.0000e+00 10 0 0 10 0 0 59.07 17.83 0.18 0.03584 0.04392 366 80 2 8 0 134.430 19.99 17.83 35.32 26.00 25.90 34.9 1013.40 9363 -35839 -24025 -44347 -51036 -34786 -48611 -13964 -30889 -14111 -21987 -8993 -16074 -6480 -3719 -10575 -5945 -8194 -150 -7975 1571 -2035 -7259 555 -9362 -12 -6797 -2687 -9846 2324 -68 -946 -2949 -2225 659 -4931 -801 633 363 -2312 -716 -2535 -1171 1917 -1233 1178 248 1304 2184 1413 1520 576 1346 -226 613 -391 644 6 592 911 1272 2389 902 735 684 756 461 1231 93 -89 183 -611 695 181 277 -494 -199 152 -779 -446 -1243 -1325 -1495 -1032 -633 -461 102 237 580 665 1053 838 998 571 551 551 605 188 -191 -69 -213 318 50 -929 -764 -697 -464 -174 -113 -150 -93 -86 116 157 394 372 162 -126 -362 -318 -210 120 47 379 139 511 916 455 242 -156 -33 -81 -40 -98 -287 251 284 -106 -150 -222 -202 158 55 -359 -210 -433 -511 -318 -590 -138 -394 -157 -286 -125 -276 -126 -83 -282 -166 -253 -5 -271 48 -67 -275 21 -423 -1 -295 -108 -439 105 -4 -60 -206 -148 41 -355 -66 59 41 -300 -98 -373 -174 279 -189 179 39 206 357 255 306 128 320 -58 161 -107 175 2 155 244 371 777 333 284 254 267 164 476 42 -45 96 -324 346 83 114 -204 -81 62 -376 -249 -793 -923 -1101 -809 -530 -408 93 215 507 540 787 589 702 444 491 561 699 237 -242 -82 -226 309 50 -1015 -885 -846 -595 -240 -172 -233 -151 -137 176 240 568 538 246 -206 -625 -550 -352 193 74 564 199 694 1271 708 422 -274 -61 -154 -80 -212 -655 584 673 -253 -347 -486 -417 316 SS 20230803T215604.3Z 8615.913938 202 1 51.76 2 76.47 73.81 73.96 256.59 0.00 1 0.00 1 0 25 4.833e-02 4.043e-03 2.436e-02 1.064e-03 4.612864e-01 5.409852e-04 4.630684e-03 -6.000000e+00 2.706674e-02 227.52 -2.00 3.05 -2.00 320.24 0.00e+00 1.280569e-03 1.954637e-04 2.087358e-04 -6.000000e+00 1.262356e-03 294.25 -2.00 20.00 -2.00 319.38 0.00e+00 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