File name: Pandora21s1_Bremen_20240619_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T171229.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20240619_L1_smca1c7d20231020p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20240619 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: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal 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: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 --------------------------------------------------------------------------------------- SS 20240619T071402.2Z 8936.301414 254 1 50.18 2 55.41 96.53 143.76 316.44 0.00 1 0.00 1 0 17 2.202e-02 5.672e-03 1.690e-02 3.507e-03 2.979587e-01 1.831397e-03 3.865240e-03 -6.000000e+00 1.323613e-02 233.67 -2.00 3.88 -2.00 318.34 0.00e+00 -4.826481e-05 3.094313e-04 9.368416e-05 -6.000000e+00 5.268571e-04 280.43 -2.00 20.00 -2.00 317.98 0.00e+00 1.756 0.000 302.00 328.00 3 5.5972e+00 4.9533e-03 2.4926e-02 -6.0000e+00 3.3570e-02 4.1653e-02 5.5551e-03 1.7260e-02 -6.0000e+00 3.6486e-02 7.2163e-03 3.6134e-03 8.4512e-03 -6.0000e+00 2.1350e-02 -8.9204e-03 1.8274e-03 2.3449e-03 -6.0000e+00 8.6062e-03 2.2856e-04 -6.4780e-04 1.1175e-04 2.8283e-05 -6.0000e+00 6.6352e-04 -4.3685e-04 0.0000e+00 10 0 0 10 0 0 99.99 22.80 0.42 -0.00044 -0.00530 54 11 1 5 0 929.077 25.79 19.99 22.80 22.05 35.6 1009.71 -11115 -9360 1226 -10108 1502 -5188 6441 -8037 3507 -1855 -872 312 -3631 -1390 -2004 1376 -3869 5589 -1131 1723 3064 -454 -488 -1021 2678 -910 3291 -1566 2510 -255 1498 1690 737 -844 -2379 -1987 -3135 591 -1862 -3 -1857 -1484 -495 79 -561 -2156 -74 -800 1686 -29 1572 1855 6 890 446 935 227 1275 0 1867 908 2317 86 908 74 -100 394 221 268 -351 125 142 49 203 162 -108 -499 842 -803 137 -1178 -624 -1248 -314 -447 -538 -614 -413 472 -299 510 100 724 536 812 781 381 -31 -400 145 -1072 -57 17 -189 -863 -582 -34 -745 -124 58 141 -19 -169 -268 583 -301 344 152 -460 75 -343 109 -213 888 189 1239 908 679 642 263 26 58 383 -193 96 6 231 95 -274 -151 -605 -76 -517 -806 -709 83 -714 90 -332 404 -641 272 -156 -74 28 -388 -166 -270 194 -600 829 -186 284 504 -78 -88 -196 521 -186 629 -298 445 -48 298 364 168 -193 -538 -465 -840 181 -683 -1 -814 -673 -227 36 -259 -1002 -33 -356 735 -13 756 949 4 505 261 557 137 756 0 1103 569 1542 62 673 54 -68 257 148 196 -284 107 123 42 165 122 -74 -322 538 -564 107 -1023 -582 -1236 -325 -493 -626 -744 -506 565 -343 541 98 673 506 820 868 466 -41 -540 189 -1327 -66 19 -225 -1096 -771 -47 -1076 -187 92 231 -30 -265 -396 804 -404 466 216 -693 117 -540 168 -321 1272 262 1626 1167 897 900 392 41 93 621 -327 170 10 434 180 -520 -280 -1090 -133 -900 SS 20240619T071913.5Z 8936.305018 257 1 50.07 2 54.64 97.64 144.28 318.17 0.00 1 0.00 1 0 25 1.383e-02 4.804e-03 9.894e-03 2.100e-03 2.929102e-01 1.096527e-03 3.817148e-03 -6.000000e+00 8.314679e-03 233.67 -2.00 3.88 -2.00 318.23 0.00e+00 1.456639e-04 1.802153e-04 8.905909e-05 -6.000000e+00 3.309519e-04 280.43 -2.00 20.00 -2.00 317.88 0.00e+00 1.723 0.000 302.00 328.00 3 4.8242e+00 2.9603e-03 2.4498e-02 -6.0000e+00 2.1088e-02 3.0468e-02 3.3169e-03 1.6997e-02 -6.0000e+00 2.2920e-02 7.9306e-03 2.1390e-03 8.3202e-03 -6.0000e+00 1.3412e-02 -8.5852e-03 1.0785e-03 2.3041e-03 -6.0000e+00 5.4064e-03 5.1777e-04 -6.4852e-04 6.6763e-05 2.7958e-05 -6.0000e+00 4.1680e-04 -6.1363e-04 0.0000e+00 10 0 0 10 0 0 99.98 22.79 0.22 -0.00061 -0.00549 110 22 1 5 0 455.074 25.79 20.00 22.79 22.11 35.7 1010.26 -1152 -4997 884 -3128 4866 5214 3535 3832 1881 4959 -1669 191 -2514 -400 -4303 -2474 -1545 788 -1217 1342 2658 -1013 345 -1207 -271 -971 577 -1219 3284 800 717 2215 -876 -1025 177 -617 -2398 -912 -1650 -1473 -1325 -1064 -681 -52 8 -518 -983 -920 1032 -19 107 564 1161 849 641 1023 70 1106 371 1307 819 985 758 355 831 -102 477 529 640 166 -34 103 -19 120 162 117 104 624 131 -531 -1180 -1486 -1113 -693 -650 -390 -179 -43 90 21 401 294 1029 867 458 842 595 -71 -547 -293 -893 -340 52 -470 -540 -764 -237 -94 33 191 43 -165 21 -27 457 133 83 120 -229 -528 -226 15 -222 337 152 706 1044 633 454 384 405 64 295 156 72 82 -5 -180 -189 -105 -320 -196 -429 -81 -384 64 -219 297 320 240 288 155 410 -150 18 -279 -50 -621 -378 -246 128 -209 232 459 -184 64 -242 -56 -207 118 -240 602 154 149 492 -211 -244 40 -148 -661 -292 -623 -620 -595 -495 -322 -25 4 -244 -457 -422 466 -9 54 299 646 493 383 623 43 670 224 794 525 677 557 269 609 -71 317 360 475 135 -30 91 -16 99 124 82 68 407 93 -421 -1037 -1412 -1111 -726 -722 -456 -216 -53 109 24 429 291 965 824 468 939 728 -94 -739 -384 -1105 -394 59 -563 -685 -1015 -327 -135 50 302 70 -268 33 -39 629 178 112 170 -343 -824 -354 23 -334 484 211 933 1342 837 637 570 622 100 475 262 126 148 -9 -338 -354 -193 -570 -339 -740 SS 20240619T072916.5Z 8936.311997 260 1 19.60 2 53.15 99.81 145.23 321.65 0.00 1 0.00 1 0 25 8.485e-03 5.316e-03 5.608e-04 1.984e-04 2.811472e-01 1.044442e-04 3.694232e-03 -6.000000e+00 5.099702e-03 233.67 -2.00 3.88 -2.00 317.03 0.00e+00 1.211288e-04 1.270181e-05 6.219662e-05 -6.000000e+00 2.030344e-04 280.43 -2.00 20.00 -2.00 316.68 0.00e+00 1.663 0.000 302.00 328.00 3 1.7869e-01 2.7749e-04 2.3541e-02 -6.0000e+00 1.2934e-02 -5.0301e-04 3.0923e-04 1.6262e-02 -6.0000e+00 1.4058e-02 -3.7367e-03 1.8339e-04 7.9163e-03 -6.0000e+00 8.2265e-03 -1.9793e-04 8.6517e-05 2.1604e-03 -6.0000e+00 3.3154e-03 5.9415e-02 -6.9629e-04 6.1499e-06 2.7398e-05 -6.0000e+00 2.5570e-04 9.1744e-04 0.0000e+00 12 1 1 12 1 1 99.36 22.77 0.30 0.00092 -0.00431 1407 782 1 5 0 12.559 25.79 20.00 22.77 22.60 35.4 1012.34 -3921 -2353 -1647 243 -866 -1839 -2036 -1857 -1139 -783 -412 -1949 -1866 -1877 -1164 -698 -54 252 158 640 974 1283 333 262 26 163 309 1162 1457 838 1067 779 -239 -460 -65 -1013 -823 -766 -1052 -997 -776 -646 -673 -257 -431 -340 -477 -114 430 607 695 787 795 590 844 743 590 747 981 1241 1308 1206 695 16 21 137 264 801 455 -87 -199 -390 -323 -362 -63 37 253 523 16 -401 -905 -1430 -1262 -1050 -963 -602 -495 -256 -379 6 109 444 939 1015 816 833 614 -238 -515 -433 -595 22 320 -360 -604 -522 -473 -41 45 33 -143 -181 -53 130 503 636 534 330 -186 -519 -238 -198 -33 329 379 772 1180 902 561 360 97 194 287 86 -172 -94 89 -375 -265 -265 -348 -242 -288 -498 -311 -213 29 -95 -205 -249 -253 -167 -117 -62 -324 -352 -407 -259 -166 -13 65 42 175 268 356 97 81 9 53 98 344 415 246 336 267 -87 -165 -23 -368 -338 -347 -563 -558 -464 -400 -425 -162 -272 -212 -292 -68 256 373 455 514 548 425 623 561 448 561 727 930 1033 969 601 14 18 110 215 626 392 -79 -192 -385 -312 -331 -56 30 200 412 13 -366 -873 -1507 -1334 -1174 -1094 -723 -621 -309 -473 7 124 462 968 1058 872 985 766 -309 -687 -557 -749 26 367 -437 -749 -682 -647 -55 65 48 -217 -272 -77 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