File name: Pandora21s1_Bremen_20220609_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T162917.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 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_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220609_L1_smca1c6d20211128p1-8.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: 20220609 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20220609T091719.3Z 8195.387029 338 1 0.87 2 38.52 129.06 120.72 41.95 0.00 1 0.00 1 0 17 7.010e-03 5.755e-03 2.006e-03 1.327e-03 2.013763e-01 7.186915e-04 2.704649e-03 -6.000000e+00 4.267618e-03 233.10 -2.00 3.88 -2.00 315.08 0.00e+00 7.508187e-05 5.641979e-05 2.251312e-05 -6.000000e+00 1.678977e-04 279.23 -2.00 20.00 -2.00 314.81 0.00e+00 1.277 0.000 302.00 328.00 3 1.2748e+00 1.8705e-03 1.7443e-02 -6.0000e+00 1.0815e-02 1.4752e-03 2.0628e-03 1.1635e-02 -6.0000e+00 1.1696e-02 2.3662e-03 1.1739e-03 5.6804e-03 -6.0000e+00 6.8471e-03 -1.6578e-03 5.0820e-04 1.5715e-03 -6.0000e+00 2.8197e-03 3.3043e-02 -1.3519e-04 4.0609e-05 2.2840e-05 -6.0000e+00 2.1063e-04 -6.0119e-04 0.0000e+00 12 1 1 12 1 1 29.12 22.31 0.26 -0.00060 -0.00162 17 236 1 5 0 38.204 25.39 20.00 22.31 25.01 29.8 1015.56 -522 -1368 -1972 -2926 -1585 64 390 92 1072 -727 94 55 216 74 430 -251 -44 526 128 464 209 735 614 710 452 54 -456 -379 896 853 1431 1059 1061 -244 -839 -10 -643 286 -195 -407 -1240 -825 -1085 -962 -858 -798 -845 -638 -40 164 885 403 949 742 841 761 878 690 683 931 1211 1033 1032 671 -179 -45 209 129 566 307 2 -292 -434 -525 -230 73 -38 269 577 -74 -634 -926 -1484 -1316 -1284 -981 -589 -455 -284 -227 227 182 563 717 824 802 597 353 -257 -500 -272 -323 150 250 -455 -252 -577 -500 52 -79 39 -288 -239 -55 149 462 826 480 375 -63 -526 23 -262 248 576 398 802 1053 737 624 418 132 225 330 143 -87 -109 -256 -550 -263 -392 -535 -361 -159 -431 -634 -948 -459 18 115 28 358 -245 32 19 79 29 186 -113 -21 252 60 225 103 362 306 368 235 29 -246 -203 444 426 723 543 577 -131 -458 -5 -346 168 -130 -292 -953 -642 -870 -779 -692 -639 -664 -502 -31 123 678 317 783 620 724 669 783 617 603 815 1080 944 980 654 -177 -43 190 116 504 293 2 -306 -461 -545 -232 69 -34 235 504 -68 -614 -959 -1567 -1462 -1472 -1168 -722 -564 -355 -277 266 206 614 757 855 869 693 428 -326 -627 -335 -390 175 291 -552 -309 -747 -657 70 -108 55 -413 -334 -74 194 585 1008 601 485 -84 -714 32 -359 328 741 499 976 1281 901 788 543 177 300 451 200 -126 -160 -385 -825 -390 -581 -786 -515 SS 20220609T093904.8Z 8195.402139 353 1 42.79 2 36.12 136.32 118.59 47.45 0.00 1 0.00 1 0 17 6.942e-03 5.198e-03 2.538e-04 1.297e-04 1.940479e-01 6.937139e-05 2.614579e-03 -6.000000e+00 4.225725e-03 233.10 -2.00 3.88 -2.00 316.08 0.00e+00 1.267981e-04 6.706577e-06 3.050332e-05 -6.000000e+00 1.662666e-04 279.23 -2.00 20.00 -2.00 315.77 0.00e+00 1.237 0.000 302.00 328.00 3 3.6597e-01 1.8200e-04 1.6904e-02 -6.0000e+00 1.0709e-02 -7.5501e-03 2.0124e-04 1.1290e-02 -6.0000e+00 1.1582e-02 4.7680e-03 1.1602e-04 5.5254e-03 -6.0000e+00 6.7802e-03 -3.3874e-03 5.2346e-05 1.5373e-03 -6.0000e+00 2.7917e-03 8.6762e-02 -2.1153e-04 4.0243e-06 2.0859e-05 -6.0000e+00 2.0860e-04 3.3582e-04 0.0000e+00 10 0 0 10 0 0 98.17 22.32 0.31 0.00034 -0.00125 3303 648 1 5 0 11.617 25.39 20.00 22.32 24.88 29.9 1015.97 -1081 -1721 -2236 -2665 -1662 -747 -5 768 364 -515 -426 367 3 122 -37 -350 -132 180 466 361 466 728 1050 589 445 107 -429 -175 544 1209 1262 1626 901 -442 -680 -171 -413 36 -28 -672 -865 -875 -912 -931 -659 -808 -765 -807 -372 347 542 718 807 715 549 759 653 513 707 965 1190 1227 1116 519 -94 -58 -13 286 754 383 -112 -218 -325 -312 -213 -20 108 324 489 -62 -455 -1009 -1416 -1178 -995 -886 -495 -357 -191 -221 104 167 538 905 897 678 756 455 -247 -353 -281 -468 147 260 -473 -500 -506 -421 -60 21 -18 -123 -131 -61 119 452 508 462 299 -196 -450 -148 -202 6 399 419 885 1072 806 540 341 93 176 303 -33 -125 -47 -18 -400 -256 -319 -431 -312 -227 -392 -519 -587 -328 -138 -1 159 83 -124 -103 89 1 36 -12 -124 -45 62 165 132 173 270 392 229 182 45 -181 -70 221 469 497 676 400 -186 -302 -73 -188 17 -16 -441 -578 -616 -660 -681 -480 -584 -542 -554 -247 245 362 506 599 556 441 620 541 426 579 784 986 1074 974 480 -88 -55 -11 237 639 359 -108 -222 -335 -315 -203 -19 91 252 381 -52 -432 -985 -1490 -1303 -1167 -1037 -612 -459 -247 -280 123 195 567 896 899 733 897 555 -324 -468 -356 -554 175 310 -564 -637 -677 -587 -82 30 -28 -188 -195 -85 163 575 625 582 400 -265 -636 -211 -283 9 545 543 1086 1370 991 704 469 133 254 422 -48 -192 -75 -30 -630 -400 -516 -676 -476 SS 20220609T094428.6Z 8195.405887 356 1 42.45 2 35.57 138.22 118.03 48.78 0.00 1 0.00 1 0 17 6.883e-03 5.122e-03 2.406e-04 1.244e-04 1.928985e-01 6.634544e-05 2.594794e-03 -6.000000e+00 4.189474e-03 233.10 -2.00 3.88 -2.00 316.05 0.00e+00 1.428867e-04 6.375570e-06 2.952906e-05 -6.000000e+00 1.648413e-04 279.23 -2.00 20.00 -2.00 315.74 0.00e+00 1.228 0.000 302.00 328.00 3 2.9833e-01 1.7415e-04 1.6785e-02 -6.0000e+00 1.0617e-02 -8.9591e-03 1.9279e-04 1.1210e-02 -6.0000e+00 1.1483e-02 4.7602e-03 1.1085e-04 5.4836e-03 -6.0000e+00 6.7220e-03 -3.2562e-03 4.9806e-05 1.5223e-03 -6.0000e+00 2.7677e-03 9.3862e-02 -2.0316e-04 3.8429e-06 2.0556e-05 -6.0000e+00 2.0681e-04 3.9214e-04 0.0000e+00 10 0 0 10 0 0 82.92 22.32 0.31 0.00039 -0.00113 3386 664 1 5 0 11.245 25.39 20.00 22.32 25.41 30.2 1020.04 -1054 -1714 -2313 -2621 -1644 -850 125 590 486 -459 -291 392 116 162 83 -251 -167 269 407 438 449 792 990 616 406 103 -398 -291 617 1073 1304 1595 896 -502 -656 -173 -463 32 -110 -651 -948 -871 -911 -900 -674 -819 -735 -792 -325 339 593 688 864 684 573 730 642 501 658 940 1133 1208 1086 506 -129 -36 -23 286 759 365 -114 -235 -311 -334 -219 -18 99 323 491 -64 -470 -988 -1404 -1122 -982 -864 -485 -386 -202 -217 125 122 554 896 920 693 776 474 -251 -336 -296 -446 157 283 -446 -484 -488 -414 -77 17 3 -120 -118 -69 116 450 517 467 291 -178 -447 -125 -213 22 361 409 852 1076 757 510 307 64 153 266 -23 -148 -27 -13 -391 -243 -285 -393 -297 -225 -398 -548 -588 -331 -160 24 125 113 -113 -71 97 31 48 28 -83 -57 94 147 162 170 298 376 244 169 44 -171 -119 254 423 521 672 369 -214 -295 -75 -196 15 -63 -400 -643 -622 -668 -666 -497 -600 -527 -550 -218 224 401 491 649 538 465 603 539 421 545 773 950 1070 959 474 -122 -32 -20 240 650 321 -111 -241 -324 -340 -211 -17 84 255 387 -55 -451 -974 -1492 -1254 -1086 -1021 -607 -501 -265 -278 150 144 590 896 932 756 868 584 -332 -450 -379 -532 189 341 -537 -624 -660 -547 -106 25 5 -186 -178 -98 161 578 643 594 393 -242 -638 -179 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