File name: Pandora21s1_Bremen_20240710_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T172751.9Z 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_20240710_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: 20240710 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 20240710T100326.6Z 8957.419058 298 1 50.18 2 35.09 143.43 73.36 96.62 0.00 1 0.00 1 0 17 7.261e-03 5.036e-03 1.602e-03 7.626e-04 1.928585e-01 4.023791e-04 2.561161e-03 -6.000000e+00 4.369104e-03 234.01 -2.00 3.88 -2.00 316.42 0.00e+00 2.031571e-05 4.192918e-05 3.318073e-05 -6.000000e+00 1.737519e-04 282.36 -2.00 20.00 -2.00 316.08 0.00e+00 1.221 0.000 302.00 328.00 3 4.0322e+00 1.0629e-03 1.6752e-02 -6.0000e+00 1.1090e-02 1.4734e-02 1.1822e-03 1.1207e-02 -6.0000e+00 1.2052e-02 2.6082e-03 6.8008e-04 5.4478e-03 -6.0000e+00 7.0503e-03 -3.1676e-03 3.0532e-04 1.4852e-03 -6.0000e+00 2.8391e-03 2.2569e-03 -4.7982e-04 2.3863e-05 1.9854e-05 -6.0000e+00 2.1884e-04 1.5366e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.85 0.25 0.00154 -0.00207 180 35 1 5 0 278.716 25.90 20.01 22.85 28.82 36.4 1010.72 -2884 -1583 -962 1699 -572 -83 -1842 -498 -850 407 339 -748 -1359 -1363 -797 -518 214 -35 423 525 809 986 421 221 325 248 440 1761 1296 1374 1162 685 -302 -505 -28 -1040 -663 -1018 -921 -1176 -693 -768 -771 -423 -646 -349 -623 -56 274 605 645 666 601 633 854 538 683 699 1045 1247 1417 1128 787 -126 -155 42 90 764 427 18 -258 -170 -369 -121 -231 -126 135 189 45 -498 -809 -1685 -982 -954 -828 -504 -327 -59 -309 49 -8 401 742 991 647 807 626 -133 -433 -352 -501 -121 415 -376 -441 -548 -350 45 156 157 -125 -129 -175 66 323 513 417 358 -103 -454 -134 -199 -18 210 378 623 1125 703 530 448 27 289 213 179 -123 9 102 -301 -220 -318 -297 -317 -295 -575 -324 -190 299 -94 -15 -356 -98 -180 86 72 -168 -341 -383 -244 -166 70 -12 146 185 286 349 154 85 130 100 169 625 439 499 415 261 -120 -196 -11 -404 -290 -527 -556 -742 -462 -528 -537 -293 -446 -236 -409 -38 181 406 456 466 440 479 658 423 537 544 802 971 1157 990 733 -120 -140 35 70 603 370 18 -264 -177 -378 -118 -206 -101 106 147 37 -436 -783 -1773 -1020 -1049 -973 -627 -424 -78 -400 60 -9 431 741 987 690 888 758 -175 -580 -455 -604 -137 462 -446 -560 -733 -488 61 223 236 -193 -196 -251 92 416 633 521 474 -146 -644 -192 -281 -26 289 494 770 1337 856 682 609 38 414 313 259 -188 14 166 -502 -365 -516 -466 -484 -449 SS 20240710T101816.8Z 8957.429362 304 1 5.30 2 33.86 149.10 71.25 99.64 0.00 1 0.00 1 0 17 9.383e-03 6.194e-03 6.225e-03 3.933e-03 1.956425e-01 2.099204e-03 2.598682e-03 -6.000000e+00 5.647252e-03 234.01 -2.00 3.88 -2.00 315.35 0.00e+00 2.851137e-05 1.744043e-04 2.416142e-05 -6.000000e+00 2.245322e-04 282.36 -2.00 20.00 -2.00 315.03 0.00e+00 1.203 0.000 302.00 328.00 3 5.1899e+00 5.4889e-03 1.6710e-02 -6.0000e+00 1.4335e-02 2.9592e-02 6.0887e-03 1.1309e-02 -6.0000e+00 1.5576e-02 -4.9810e-03 3.4543e-03 5.4951e-03 -6.0000e+00 9.1122e-03 1.7031e-03 1.4767e-03 1.4920e-03 -6.0000e+00 3.6703e-03 7.1419e-04 -1.9905e-04 1.2083e-04 2.1337e-05 -6.0000e+00 2.8280e-04 1.1273e-04 0.0000e+00 12 1 1 12 1 1 999.00 22.87 0.32 0.00011 -0.00138 2 5 1 5 0 1762.901 25.90 20.00 22.87 29.62 35.9 1012.63 -2700 -2061 -683 287 2195 206 1399 1617 661 1241 2460 -3520 -2909 -1618 -1426 -1177 38 1814 2112 634 -371 610 1266 -104 -758 305 -91 1214 1499 1729 1632 1363 -472 -1021 -935 -629 -538 -626 -1014 -113 -1222 -434 -361 -122 -461 -1202 -405 -1046 1119 295 387 -307 535 1129 743 501 641 691 789 685 1201 1215 411 179 564 -526 -312 69 651 -190 -291 -124 -237 -31 57 -359 -797 -181 382 -769 -1141 -1013 -1024 -1187 -297 -372 -459 -254 -45 -49 113 97 1787 654 645 1184 1040 -313 -465 -130 -129 -311 449 -693 -852 -663 -245 102 306 -92 473 118 -37 -347 93 55 461 45 141 -483 -298 -165 -31 -46 512 -179 1253 1007 675 15 462 226 283 -130 -464 -207 412 -201 10 -215 -723 177 -441 -794 -624 -200 78 546 52 374 470 205 387 760 -1187 -1060 -637 -601 -515 17 811 963 298 -176 288 610 -52 -394 158 -46 580 690 796 781 683 -246 -524 -467 -322 -301 -392 -707 -84 -951 -343 -288 -97 -367 -951 -312 -795 830 223 303 -249 446 958 641 437 560 600 681 598 1078 1138 401 176 538 -480 -274 61 608 -189 -301 -129 -246 -31 55 -322 -681 -154 337 -730 -1152 -1070 -1116 -1340 -348 -451 -571 -318 -55 -59 129 105 1835 677 694 1342 1248 -394 -593 -162 -155 -360 515 -827 -1058 -847 -320 136 419 -129 675 168 -51 -455 117 68 570 57 188 -661 -412 -225 -41 -61 648 -221 1506 1226 851 19 611 303 384 -181 -668 -305 613 -302 15 -320 -1057 253 -632 SS 20240710T102753.8Z 8957.436039 307 1 34.77 2 33.16 152.93 69.90 101.63 0.00 1 0.00 1 0 17 7.308e-03 4.976e-03 3.085e-03 1.550e-03 1.912517e-01 8.186411e-04 2.529202e-03 -6.000000e+00 4.397705e-03 234.01 -2.00 3.88 -2.00 316.22 0.00e+00 1.187038e-04 8.170614e-05 3.120746e-05 -6.000000e+00 1.748843e-04 282.36 -2.00 20.00 -2.00 315.88 0.00e+00 1.194 0.000 302.00 328.00 3 5.1344e+00 2.1583e-03 1.6466e-02 -6.0000e+00 1.1163e-02 2.3474e-02 2.3996e-03 1.1074e-02 -6.0000e+00 1.2130e-02 1.5090e-03 1.3765e-03 5.3800e-03 -6.0000e+00 7.0964e-03 -2.5505e-03 6.1159e-04 1.4640e-03 -6.0000e+00 2.8578e-03 7.6925e-04 -5.0201e-04 4.8324e-05 1.9639e-05 -6.0000e+00 2.2027e-04 1.3540e-03 0.0000e+00 12 1 1 12 1 1 99.99 22.88 0.15 0.00135 -0.00242 40 12 1 5 0 847.656 25.90 20.00 22.88 29.39 36.1 1011.76 -2550 -2026 -202 1382 1978 -1754 325 -1462 111 268 857 -1126 -1553 -569 -1687 -92 230 712 94 609 157 607 207 38 370 -121 1052 364 1788 881 985 843 16 -445 -607 -498 -1417 -783 -1007 -559 -511 -585 -622 -538 -732 -774 -670 -430 615 622 912 917 580 900 584 770 378 731 620 1482 1118 1252 703 291 -223 -237 -56 277 225 173 47 -183 -80 -385 126 -128 -246 174 -372 -658 -920 -1536 -1374 -813 -908 -408 -68 -104 -142 79 100 244 652 705 460 1001 607 36 -141 -236 -522 -335 202 -169 -772 -414 -333 16 244 84 39 -156 -74 -187 244 324 99 277 -18 -267 -94 -190 -52 305 417 535 1018 678 478 428 10 116 357 195 -115 38 180 -340 -199 -139 -409 -151 -547 -543 -447 -43 265 350 -321 63 -317 25 62 196 -276 -420 -169 -552 -31 80 252 34 227 59 228 80 16 155 -51 425 140 648 323 377 341 7 -184 -243 -206 -657 -417 -614 -371 -356 -419 -451 -390 -530 -552 -465 -291 407 419 639 673 443 704 466 622 307 588 496 1194 940 1111 656 275 -204 -203 -46 228 199 166 47 -187 -81 -374 114 -107 -193 135 -307 -592 -895 -1591 -1482 -911 -1072 -503 -87 -133 -181 97 114 259 655 708 486 1131 739 46 -185 -301 -634 -389 233 -203 -978 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