File name: Pandora131s1_Palau_20250927_L2Fit_fout2c11d20221208p1-8.txt File generation date: 20250927T150424.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Katrin Mueller Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 131 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora131_OF_v3d20200610.txt Instrument calibration file used: Pandora131s1_CF_v11d20221208.txt Level 1 file used: Pandora131s1_Palau_20250927_L1_smca1c11d20221208p1-8.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: 20250927 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: 1st VP, year 2023 First and last pixel inside fitting window: 228 370 Nominal wavelengths inside fitting window [nm]: 305.0440 305.1849 305.3259 305.4668 305.6077 305.7486 305.8895 306.0303 306.1712 306.3121 306.4529 306.5937 306.7346 306.8754 307.0162 307.1569 307.2977 307.4385 307.5792 307.7200 307.8607 308.0014 308.1421 308.2828 308.4235 308.5642 308.7048 308.8455 308.9861 309.1268 309.2674 309.4080 309.5486 309.6892 309.8297 309.9703 310.1108 310.2514 310.3919 310.5324 310.6729 310.8134 310.9539 311.0944 311.2348 311.3753 311.5157 311.6561 311.7966 311.9370 312.0774 312.2177 312.3581 312.4985 312.6388 312.7791 312.9195 313.0598 313.2001 313.3404 313.4807 313.6209 313.7612 313.9014 314.0417 314.1819 314.3221 314.4623 314.6025 314.7426 314.8828 315.0230 315.1631 315.3032 315.4434 315.5835 315.7236 315.8636 316.0037 316.1438 316.2838 316.4239 316.5639 316.7039 316.8439 316.9839 317.1239 317.2639 317.4038 317.5438 317.6837 317.8236 317.9636 318.1035 318.2433 318.3832 318.5231 318.6629 318.8028 318.9426 319.0824 319.2223 319.3621 319.5018 319.6416 319.7814 319.9211 320.0609 320.2006 320.3403 320.4800 320.6197 320.7594 320.8991 321.0387 321.1784 321.3180 321.4577 321.5973 321.7369 321.8765 322.0160 322.1556 322.2952 322.4347 322.5743 322.7138 322.8533 322.9928 323.1323 323.2717 323.4112 323.5507 323.6901 323.8295 323.9689 324.1084 324.2477 324.3871 324.5265 324.6659 324.8052 324.9445 --------------------------------------------------------------------------------------- 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 101-243: 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 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2.1501e-02 -6.0000e+00 1.1175e-01 1.4968e-02 2.2541e-03 1.0434e-02 -6.0000e+00 6.6971e-02 -1.6014e-02 1.1496e-03 2.9862e-03 -6.0000e+00 2.8942e-02 2.1859e-03 -2.1258e-04 3.5929e-05 2.8522e-05 -6.0000e+00 1.8193e-03 2.0920e-02 0.0000e+00 10 0 0 10 0 0 19.83 17.93 0.16 0.02092 0.01932 332 72 2 8 0 148.200 19.99 17.93 35.84 26.21 26.11 31.9 1009.69 -27046 -35741 -4047 -39955 -6573 -36980 -12501 -15877 -16565 -2311 -30047 -1049 -15344 763 -15817 171 -4824 1132 1927 -6974 4157 -9344 4285 -2073 4473 -360 -16447 -995 -6325 471 -959 538 -530 2999 -4597 -1230 -2805 -1748 1672 424 -411 -1163 -46 -838 -639 -197 -1306 399 -2221 162 -666 514 949 75 568 535 1180 265 633 247 981 1073 1721 1813 459 539 -1114 -627 -6 1105 361 662 395 296 476 -866 -196 -1538 -28 -267 -83 -698 -1613 -1530 -920 -263 -303 377 551 928 1029 740 471 460 958 251 718 656 679 -47 -370 -1013 -1130 -350 -696 -792 -976 -758 -402 0 205 27 308 26 -83 -283 -52 26 -23 -80 -153 -76 -62 316 480 630 305 396 622 386 472 5 -253 -203 -153 -143 -61 216 139 80 -54 -137 -443 -292 -483 -42 -573 -60 -448 -131 -203 -247 -32 -561 -16 -323 17 -460 5 -158 38 69 -288 159 -406 169 -97 215 -19 -1045 -51 -328 23 -55 35 -40 234 -360 -91 -234 -175 202 62 -68 -205 -8 -156 -119 -37 -250 76 -440 33 -149 126 251 22 171 168 380 86 198 77 311 374 671 783 206 227 -451 -254 -3 572 207 394 234 167 246 -404 -83 -651 -13 -144 -52 -494 -1245 -1238 -795 -242 -296 377 549 885 907 602 357 352 808 243 787 753 842 -58 -423 -1128 -1170 -375 -823 -989 -1181 -966 -550 1 334 46 508 40 -119 -388 -72 38 -37 -132 -255 -122 -96 472 686 932 427 573 929 643 843 10 -486 -412 -335 -328 -132 479 308 185 -119 -284 -902 SS 20250926T215558.3Z 9400.913869 46 1 51.95 2 74.67 93.72 127.58 115.91 0.00 1 0.00 1 0 25 2.430e-02 4.522e-03 1.143e-02 8.066e-04 3.979011e-01 3.982648e-04 4.068568e-03 -6.000000e+00 1.335966e-02 228.24 -2.00 3.05 -2.00 319.77 0.00e+00 -2.325041e-05 1.222458e-04 3.349331e-04 -6.000000e+00 6.208409e-04 294.41 -2.00 20.00 -2.00 318.86 0.00e+00 3.710 0.000 302.00 328.00 3 6.0268e-01 1.1761e-03 4.0774e-02 -6.0000e+00 3.3135e-02 1.6522e-02 1.4242e-03 1.8375e-02 -6.0000e+00 3.5987e-02 9.5539e-03 1.1013e-03 8.8349e-03 -6.0000e+00 2.1567e-02 -1.1244e-02 5.7641e-04 2.4982e-03 -6.0000e+00 9.3209e-03 4.7531e-03 -1.5126e-04 2.1779e-05 2.3577e-05 -6.0000e+00 5.8587e-04 2.0589e-02 0.0000e+00 10 0 0 10 0 0 -5.87 17.93 0.17 0.02059 0.01945 490 107 2 8 0 100.460 19.99 17.93 36.85 26.21 26.11 32.0 1015.04 -6682 -4616 -5259 -9946 -8615 -13291 -6299 -3169 -4317 -3079 -9411 -7561 -6488 -2434 -973 -2105 -1016 -1894 -458 802 -966 -1657 -569 -272 -649 -381 -1898 -2366 -1498 -972 267 838 1653 -724 -2299 -2709 -2191 -613 -472 -318 -923 -275 -823 -529 -582 -468 -739 -922 -1324 -160 47 204 684 562 499 911 618 651 356 337 655 1367 1324 1964 836 31 -590 -611 256 798 326 83 -112 417 272 -243 -460 -772 -276 -110 -324 -729 -1508 -1465 -896 -537 32 145 698 858 883 602 404 720 781 490 529 654 557 9 -421 -912 -928 -402 -569 -803 -848 -820 -346 -110 159 127 196 29 -164 -179 -54 -46 -43 -102 -141 -16 11 144 544 507 428 489 601 563 437 152 -265 -191 -84 -67 -24 36 40 103 45 -325 -413 -130 -99 -120 -225 -170 -265 -128 -73 -116 -87 -283 -236 -238 -104 -45 -112 -57 -114 -29 53 -67 -114 -40 -21 -54 -34 -171 -202 -120 -78 24 84 186 -88 -261 -300 -267 -88 -84 -68 -218 -68 -213 -138 -153 -124 -195 -243 -352 -43 14 66 236 208 193 363 255 267 142 133 265 603 651 1052 461 16 -286 -294 135 487 220 59 -78 277 167 -134 -230 -376 -145 -68 -228 -579 -1297 -1318 -861 -554 32 150 714 913 869 543 337 596 709 505 615 790 725 11 -504 -1065 -1013 -456 -712 -981 -1084 -1102 -494 -173 267 219 328 46 -237 -245 -74 -66 -66 -169 -235 -26 17 219 784 698 602 705 888 916 758 273 -490 -370 -163 -137 -49 77 86 213 88 -654 -813 SS 20250926T220447.4Z 9400.919993 48 1 52.24 2 72.49 94.04 125.69 115.54 0.00 1 0.00 1 0 25 1.286e-02 4.600e-03 5.237e-03 5.648e-04 3.539036e-01 2.765953e-04 3.632001e-03 -6.000000e+00 7.068421e-03 228.24 -2.00 3.05 -2.00 319.28 0.00e+00 1.214058e-04 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