File name: Pandora127s1_Mainz-MPIC_20250708_L2Fit_fout2c4d20250305p1-8.txt
File generation date: 20250904T074345.1Z
Data description: Level 2 spectral fitting results file
Data file version: fout2c4p1-8
Local principal investigator: Thomas Wagner
Network principal investigator: Alexander Cede
Instrument type: Pandora
Instrument number: 127
Spectrometer number: 1
Processing software version used: BlickP v1.8.75
Instrument operation file used: Pandora127_OF_v4d20210611.txt
Instrument calibration file used: Pandora127s1_CF_v4d20250305.txt
Level 1 file used: Pandora127s1_Mainz-MPIC_20250708_L1_smca1c4d20250305p1-8.txt
Full location name: Max-Planck-Institute for Chemistry, Mainz
Short location name: Mainz-MPIC
Country of location: Germany
Location latitude [deg]: 49.9910
Location longitude [deg]: 8.2280
Location altitude [m]: 125
Local noon date: 20250708
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: None
First and last pixel inside fitting window: 223 365
Nominal wavelengths inside fitting window [nm]: 305.0725 305.2131 305.3536 305.4941 305.6347 305.7752 305.9156 306.0561 306.1966 306.3370 306.4775 306.6179 306.7583 306.8988 307.0392 307.1795 307.3199 307.4603 307.6006 307.7410 307.8813 308.0216 308.1619 308.3022 308.4425 308.5828 308.7230 308.8633 309.0035 309.1438 309.2840 309.4242 309.5644 309.7046 309.8447 309.9849 310.1250 310.2652 310.4053 310.5454 310.6855 310.8256 310.9657 311.1058 311.2458 311.3859 311.5259 311.6659 311.8059 311.9459 312.0859 312.2259 312.3659 312.5058 312.6457 312.7857 312.9256 313.0655 313.2054 313.3453 313.4852 313.6250 313.7649 313.9047 314.0445 314.1844 314.3242 314.4639 314.6037 314.7435 314.8833 315.0230 315.1627 315.3025 315.4422 315.5819 315.7216 315.8612 316.0009 316.1406 316.2802 316.4198 316.5594 316.6991 316.8386 316.9782 317.1178 317.2574 317.3969 317.5365 317.6760 317.8155 317.9550 318.0945 318.2340 318.3734 318.5129 318.6523 318.7918 318.9312 319.0706 319.2100 319.3494 319.4888 319.6281 319.7675 319.9068 320.0461 320.1855 320.3248 320.4641 320.6033 320.7426 320.8819 321.0211 321.1604 321.2996 321.4388 321.5780 321.7172 321.8564 321.9955 322.1347 322.2738 322.4129 322.5521 322.6912 322.8303 322.9693 323.1084 323.2475 323.3865 323.5256 323.6646 323.8036 323.9426 324.0816 324.2206 324.3595 324.4985 324.6374 324.7763 324.9153
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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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SS 20250708T065214.9Z 9320.286284 189 1 31.84 2 60.30 89.79 144.70 294.37 0.00 1 0.00 1 0 17 3.887e-02 7.573e-03 2.691e-02 4.307e-03 3.298859e-01 2.191648e-03 4.178938e-03 -6.000000e+00 2.242112e-02 233.62 -2.00 3.76 -2.00 318.50 0.00e+00 1.164150e-03 4.294451e-04 1.162461e-04 -6.000000e+00 9.692137e-04 282.77 -2.00 20.00 -2.00 317.76 0.00e+00 2.009 0.000 302.00 328.00 3 5.5286e+00 5.9966e-03 2.7628e-02 -6.0000e+00 5.6531e-02 3.0176e-02 6.8054e-03 1.8796e-02 -6.0000e+00 6.1081e-02 1.5160e-03 4.5445e-03 9.1484e-03 -6.0000e+00 3.6193e-02 -5.9523e-03 2.3657e-03 2.7184e-03 -6.0000e+00 1.5330e-02 1.8399e-04 -1.8361e-04 1.2139e-04 2.6746e-05 -6.0000e+00 1.0125e-03 3.2822e-03 0.0000e+00 12 9 1 12 9 1 98.83 25.58 0.38 0.00328 0.00190 7 3 1 8 0 3979.540 20.01 162.77 20.93 25.58 25.47 0.1 954.46 -3607 12614 -13455 2258 -17851 23281 -9358 -4580 -15355 11554 2252 4776 -886 -1583 9313 429 302 -969 1620 -2831 -1542 3434 1790 6024 -2066 397 -4891 -1566 1385 220 -2466 2481 -1662 -2697 -3440 -2356 -569 -2079 -1978 -985 -543 -1088 -462 859 474 -2227 -1176 -1231 -1533 1500 -854 2600 1906 2408 1231 536 -236 1474 154 305 2190 724 1789 1892 592 -660 936 -1519 44 1190 360 463 2 1299 -678 55 -364 -1686 300 128 -2073 -1200 -2933 -1339 -305 -1026 518 -420 759 -93 1103 290 -182 315 203 86 -123 802 -274 1094 -696 -426 -92 -80 -687 -1249 -700 -817 213 -81 1150 337 573 -116 176 -389 -172 -391 384 48 -958 -164 539 680 535 86 -454 1050 360 267 741 -509 88 -598 401 -198 312 298 100 -226 -402 -552 -56 -182 602 -849 115 -996 849 -501 -266 -1104 672 143 310 -70 -148 910 51 38 -130 223 -423 -232 490 266 914 -361 71 -914 -268 218 35 -440 467 -358 -606 -732 -484 -126 -544 -621 -355 -214 -451 -196 365 203 -977 -507 -526 -650 629 -387 1234 961 1280 682 305 -138 850 88 172 1254 450 1196 1351 433 -459 600 -976 30 898 297 398 2 1071 -535 39 -239 -1070 196 94 -1726 -1087 -2878 -1346 -323 -1154 604 -506 912 -110 1211 299 -175 294 198 92 -145 1024 -374 1481 -906 -513 -104 -92 -856 -1637 -948 -1146 309 -124 1852 557 925 -179 254 -537 -236 -553 568 76 -1542 -258 828 1017 768 120 -607 1375 503 398 1157 -822 145 -1010 706 -365 585 566 192 -430 -738 -984 -97
SS 20250708T071858.4Z 9320.304843 205 1 48.09 2 56.01 95.03 148.32 302.19 0.00 1 0.00 1 0 17 2.272e-02 6.972e-03 1.544e-02 3.106e-03 2.966108e-01 1.579053e-03 3.780200e-03 -6.000000e+00 1.310350e-02 233.62 -2.00 3.76 -2.00 318.29 0.00e+00 1.045029e-03 2.887586e-04 2.594204e-04 -6.000000e+00 5.664382e-04 282.77 -2.00 20.00 -2.00 317.54 0.00e+00 1.783 0.000 302.00 328.00 3 5.3778e+00 4.2955e-03 2.4670e-02 -6.0000e+00 3.3038e-02 2.7822e-02 4.8572e-03 1.6847e-02 -6.0000e+00 3.5698e-02 -1.3663e-03 3.1262e-03 8.2340e-03 -6.0000e+00 2.1152e-02 -5.1236e-03 1.6043e-03 2.3852e-03 -6.0000e+00 8.9591e-03 2.8104e-04 4.6809e-06 8.8327e-05 2.4013e-05 -6.0000e+00 5.9171e-04 3.2882e-03 0.0000e+00 11 9 0 11 8 0 99.35 25.58 0.23 0.00329 0.00332 23 5 1 8 0 2090.420 19.99 162.77 21.48 25.58 25.47 0.1 957.64 -12759 4726 -4336 2111 -6133 3189 3233 -957 -5607 -4160 1765 -10173 -1440 -1591 5109 -4763 -1460 -2094 626 4264 937 2326 -1752 2310 -1893 3375 -4296 1752 -3358 -1278 328 -1540 2621 -3032 -3848 -4780 -754 -2099 -702 -525 -424 209 -204 -382 348 26 -1836 80 -1517 1444 -1005 1768 1070 1878 1331 951 745 141 1031 112 1356 1389 2889 2014 499 294 -41 -219 734 977 72 1088 -303 649 53 -1044 -1817 -1356 303 -1508 -444 -2118 -1807 -1702 -632 -751 233 -542 554 69 278 537 -192 689 -48 254 -249 866 -166 -70 -387 -428 -317 -602 -545 -1470 -555 -790 205 673 1037 253 302 436 -101 9 -254 443 -253 -64 -708 312 469 211 905 103 487 462 785 109 184 -522 -138 -80 106 -57 -8 519 134 -174 -425 -343 -491 -915 314 -322 137 -387 179 194 -68 -459 -352 140 -939 -139 -179 622 -703 -220 -332 101 690 160 386 -310 419 -379 670 -910 332 -627 -234 63 -332 594 -744 -891 -1095 -181 -596 -236 -205 -181 92 -93 -177 159 12 -849 36 -682 636 -478 884 569 1045 764 560 449 85 606 66 810 889 1983 1489 377 207 -27 -140 498 747 60 944 -265 547 42 -759 -1211 -862 197 -1119 -365 -1942 -1761 -1722 -675 -850 274 -662 676 82 310 552 -184 634 -46 270 -291 1103 -228 -95 -499 -512 -357 -691 -675 -1939 -753 -1118 301 1036 1675 419 490 668 -145 12 -340 611 -372 -100 -1136 492 720 314 1283 142 637 599 1073 161 285 -835 -223 -133 184 -105 -15 980 258 -329 -779 -609 -851
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