File name: Pandora127s1_Mainz-MPIC_20250823_L2Fit_fout2c5d20250721p1-8.txt
File generation date: 20250902T110806.8Z
Data description: Level 2 spectral fitting results file
Data file version: fout2c5p1-8
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_v6d20250721.txt
Level 1 file used: Pandora127s1_Mainz-MPIC_20250823_L1_smca1c5d20250721p1-8.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: 20250823
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]: 305.0664 305.2071 305.3478 305.4884 305.6291 305.7697 305.9103 306.0510 306.1916 306.3321 306.4727 306.6133 306.7538 306.8944 307.0349 307.1754 307.3159 307.4564 307.5968 307.7373 307.8777 308.0182 308.1586 308.2990 308.4394 308.5798 308.7202 308.8605 309.0009 309.1412 309.2815 309.4218 309.5621 309.7024 309.8427 309.9829 310.1232 310.2634 310.4036 310.5438 310.6840 310.8242 310.9644 311.1045 311.2447 311.3848 311.5249 311.6650 311.8051 311.9452 312.0853 312.2253 312.3654 312.5054 312.6454 312.7854 312.9254 313.0654 313.2054 313.3453 313.4853 313.6252 313.7651 313.9050 314.0449 314.1848 314.3247 314.4645 314.6044 314.7442 314.8840 315.0238 315.1636 315.3034 315.4432 315.5829 315.7227 315.8624 316.0021 316.1418 316.2815 316.4212 316.5609 316.7005 316.8402 316.9798 317.1194 317.2591 317.3986 317.5382 317.6778 317.8174 317.9569 318.0964 318.2360 318.3755 318.5150 318.6545 318.7939 318.9334 319.0728 319.2123 319.3517 319.4911 319.6305 319.7699 319.9093 320.0486 320.1880 320.3273 320.4666 320.6059 320.7452 320.8845 321.0238 321.1631 321.3023 321.4416 321.5808 321.7200 321.8592 321.9984 322.1376 322.2767 322.4159 322.5550 322.6942 322.8333 322.9724 323.1115 323.2505 323.3896 323.5287 323.6677 323.8067 323.9458 324.0848 324.2238 324.3627 324.5017 324.6407 324.7796 324.9185
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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 20250823T094737.9Z 9366.408078 220 1 48.45 2 44.04 142.57 45.01 139.19 0.00 1 0.00 1 0 17 1.043e-02 7.014e-03 4.360e-03 1.900e-03 1.957032e-01 9.560021e-04 2.534112e-03 -6.000000e+00 5.925537e-03 231.46 -2.00 3.76 -2.00 316.65 0.00e+00 4.257028e-04 1.144471e-04 1.097098e-04 -6.000000e+00 2.584290e-04 283.02 -2.00 20.00 -2.00 315.92 0.00e+00 1.389 0.000 302.00 328.00 3 5.1890e+00 2.5175e-03 1.7651e-02 -6.0000e+00 1.4864e-02 3.3184e-02 2.8111e-03 1.0961e-02 -6.0000e+00 1.6091e-02 3.0695e-03 1.6377e-03 5.3396e-03 -6.0000e+00 9.5532e-03 -5.6929e-03 7.7758e-04 1.4868e-03 -6.0000e+00 4.0715e-03 6.0170e-04 6.1776e-05 5.2255e-05 1.6025e-05 -6.0000e+00 2.6547e-04 3.3331e-03 0.0000e+00 11 8 0 10 0 0 100.00 20.91 0.35 0.00333 0.00380 45 11 1 8 0 1076.430 19.99 20.91 25.97 25.68 25.68 0.0 980.75 -1761 520 -667 -522 -2325 -2891 -1595 -1310 2728 -2465 -2631 -1329 20 120 569 -402 -563 1470 79 1697 470 1220 630 1313 -56 857 -247 -122 -393 -427 -53 928 897 -1991 -2819 -3269 -2733 -1381 -869 -473 -935 -107 -46 -117 -144 106 -480 -72 -748 362 338 544 740 965 857 1144 877 451 400 92 881 1143 2129 2287 420 8 -1046 -768 645 939 40 730 527 732 -59 -147 -943 -1799 -1413 -1309 -1321 -1579 -2401 -1624 -755 -573 53 221 536 489 363 -163 -791 -2 -179 40 -31 1107 554 356 -121 -1217 -899 -377 -553 -1142 -698 -647 114 538 775 712 498 186 -260 -162 -339 -262 105 214 -41 237 477 444 606 268 81 514 508 229 358 -410 -381 -95 -86 98 90 527 204 33 -424 -593 -759 -308 96 -125 -90 -363 -430 -248 -230 512 -504 -520 -263 4 29 154 -118 -170 446 25 547 156 394 207 451 -21 324 -93 -43 -129 -135 -17 324 335 -779 -1030 -1165 -1046 -607 -451 -279 -597 -71 -30 -79 -96 71 -314 -46 -464 221 214 365 518 705 636 860 673 346 302 69 675 930 1844 2069 385 6 -821 -579 507 828 38 724 525 708 -54 -124 -723 -1313 -1048 -1073 -1197 -1557 -2521 -1747 -855 -689 67 286 692 615 432 -179 -801 -2 -178 43 -36 1398 742 473 -153 -1453 -1012 -435 -687 -1505 -948 -908 164 807 1211 1121 765 269 -350 -206 -425 -339 143 312 -62 353 695 630 818 351 101 631 651 310 505 -592 -553 -141 -133 159 150 889 347 56 -700 -951 -1191
SS 20250823T095655.6Z 9366.414532 226 1 3.96 2 43.17 145.63 44.11 142.11 0.00 1 0.00 1 0 17 9.610e-03 7.358e-03 5.101e-03 3.189e-03 1.909379e-01 1.623626e-03 2.491624e-03 -6.000000e+00 5.459832e-03 231.46 -2.00 3.76 -2.00 315.32 0.00e+00 2.831716e-04 1.468496e-04 4.351707e-05 -6.000000e+00 2.381142e-04 283.02 -2.00 20.00 -2.00 314.69 0.00e+00 1.369 0.000 302.00 328.00 3 4.3212e+00 4.2097e-03 1.7321e-02 -6.0000e+00 1.3696e-02 2.6021e-02 4.6707e-03 1.0687e-02 -6.0000e+00 1.4827e-02 3.8460e-03 2.6735e-03 5.2039e-03 -6.0000e+00 8.8023e-03 -5.6225e-03 1.2041e-03 1.4395e-03 -6.0000e+00 3.7516e-03 1.4797e-03 6.8517e-05 8.5374e-05 1.7078e-05 -6.0000e+00 2.4460e-04 3.1631e-03 0.0000e+00 12 9 1 12 9 1 99.41 20.93 0.35 0.00316 0.00368 3 11 1 8 0 989.640 20.01 20.93 26.28 25.68 25.68 0.0 985.94 -174 -645 -2054 -1129 -1684 958 -1225 2153 1688 -99 -3072 -751 -42 861 44 -891 1072 -262 979 1364 1116 -523 899 642 436 1192 -447 -182 -1034 89 240 2252 896 -878 -2909 -3009 -2196 -2019 -384 -782 -336 -458 291 -669 -255 -96 -872 776 28 195 678 466 175 976 680 860 224 1143 -41 235 681 869 1666 1668 681 -256 -107 -1312 541 809 770 596 649 1215 -220 -342 -712 -1440 -260 -1007 -1510 -1746 -2266 -1339 -917 -729 181 -22 601 5 389 -283 -543 -161 -180 121 626 982 472 199 -150 -820 -841 -45 -269 -924 -642 -1197 -250 511 770 154 522 310 226 -67 -301 -69 55 291 -434 -59 251 770 1114 632 164 1151 610 485 326 -358 -456 -276 375 -265 141 394 -35 -306 -188 -627 -825 -49 -194 -627 -322 -433 232 -316 599 514 -31 -976 -235 -14 317 18 -386 466 -117 445 632 525 -246 423 315 223 622 -233 -91 -485 40 113 1093 463 -466 -1474 -1492 -1148 -1183 -252 -569 -257 -360 230 -535 -202 -76 -683 588 21 144 515 369 143 821 581 742 196 992 -36 201 594 789 1584 1642 672 -240 -95 -1134 479 775 781 622 678 1242 -218 -318 -618 -1205 -219 -917 -1476 -1813 -2451 -1473 -1051 -870 222 -27 754 6 460 -318 -573 -164 -188 133 730 1212 606 255 -186 -967 -957 -51 -329 -1171 -833 -1594 -339 713 1102 223 737 420 290 -83 -369 -87 72 397 -607 -82 344 1029 1440 799 201 1381 760 628 435 -484 -620 -382 533 -390 211 595 -54 -463 -280 -916 -1189
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