File name: Pandora25s1_HoustonTX_20241009_L2Fit_fout2c6d20220503p1-8.txt File generation date: 20241010T061647.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Jimmy Flynn Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 25 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora25_OF_v7d20190903.txt Instrument calibration file used: Pandora25s1_CF_v6d20220503.txt Level 1 file used: Pandora25s1_HoustonTX_20241009_L1_smca1c6d20220503p1-8.txt Full location name: University Of Houston Short location name: HoustonTX Country of location: United States Location latitude [deg]: 29.7200 Location longitude [deg]: -95.3400 Location altitude [m]: 19 Local noon date: 20241009 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Update session 4 for SO2 First and last pixel inside fitting window: 281 423 Nominal wavelengths inside fitting window [nm]: 305.1116 305.2524 305.3931 305.5338 305.6745 305.8152 305.9558 306.0965 306.2371 306.3777 306.5183 306.6589 306.7995 306.9401 307.0806 307.2212 307.3617 307.5022 307.6427 307.7832 307.9236 308.0641 308.2045 308.3449 308.4853 308.6257 308.7661 308.9065 309.0468 309.1872 309.3275 309.4678 309.6081 309.7484 309.8886 310.0289 310.1691 310.3093 310.4495 310.5897 310.7299 310.8701 311.0102 311.1504 311.2905 311.4306 311.5707 311.7108 311.8509 311.9909 312.1310 312.2710 312.4110 312.5510 312.6910 312.8310 312.9709 313.1109 313.2508 313.3907 313.5306 313.6705 313.8104 313.9503 314.0901 314.2300 314.3698 314.5096 314.6494 314.7892 314.9290 315.0687 315.2085 315.3482 315.4879 315.6276 315.7673 315.9070 316.0466 316.1863 316.3259 316.4656 316.6052 316.7448 316.8843 317.0239 317.1635 317.3030 317.4425 317.5821 317.7216 317.8611 318.0005 318.1400 318.2794 318.4189 318.5583 318.6977 318.8371 318.9765 319.1159 319.2552 319.3946 319.5339 319.6732 319.8125 319.9518 320.0911 320.2304 320.3696 320.5089 320.6481 320.7873 320.9265 321.0657 321.2049 321.3441 321.4832 321.6223 321.7615 321.9006 322.0397 322.1788 322.3178 322.4569 322.5960 322.7350 322.8740 323.0130 323.1520 323.2910 323.4300 323.5689 323.7079 323.8468 323.9857 324.1246 324.2635 324.4024 324.5413 324.6801 324.8190 324.9578 --------------------------------------------------------------------------------------- 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 20241009T130834.8Z 9048.547625 55 1 49.45 2 80.40 103.32 155.69 94.71 0.00 1 0.00 1 0 25 3.124e-01 6.764e-03 1.294e-01 2.413e-03 6.368146e-01 1.311185e-03 6.759824e-03 -6.000000e+00 1.819479e-01 227.22 -2.00 3.24 -2.00 320.94 0.00e+00 7.793996e-04 6.122350e-04 5.291986e-04 -6.000000e+00 8.493559e-03 291.70 -2.00 20.00 -2.00 320.26 0.00e+00 5.713 0.002 302.00 328.00 3 1.5603e+00 4.4486e-03 6.4551e-02 -6.0000e+00 4.5147e-01 7.5608e-03 6.0790e-03 3.1731e-02 -6.0000e+00 4.8979e-01 -3.7903e-02 5.8599e-03 1.5999e-02 -6.0000e+00 2.9108e-01 7.4808e-03 2.8354e-03 5.4550e-03 -6.0000e+00 1.2597e-01 2.1034e-04 -5.2861e-04 6.8372e-05 5.6204e-05 -6.0000e+00 8.7898e-03 -5.0641e-02 2.1751e-04 11 9 0 11 8 0 75.35 24.06 0.36 -0.05064 -0.05461 110 23 1 5 0 449.530 26.62 20.01 24.06 24.04 32.5 1058.37 900000 31395 -154975 900000 -127919 -135703 900000 -90348 900000 -107719 -135462 24665 -84553 -94127 -55467 900000 -8535 -9556 13627 -15262 -2746 -28331 -6261 -35910 -17834 -18738 -22261 -28917 -16373 -17857 17077 9785 -8548 -1836 -19669 15917 -6533 57466 6580 -4675 -3841 883 747 3636 8040 743 -5109 -3144 11305 227 6570 -630 -20 3249 3825 1920 2672 -3025 2333 -712 1317 -595 -247 2766 -1349 2027 851 -625 1280 1896 1216 1340 1223 -1409 1254 989 -2676 -2681 728 459 -409 -1530 -1015 -511 -687 -1368 -134 277 9 1489 1378 728 542 -92 -332 592 0 472 273 -297 -19 -962 -965 -1068 -37 -985 -693 -1338 298 -354 88 291 486 494 146 225 148 -95 -393 -124 -626 14 14 372 197 832 -2 951 258 334 232 18 -163 173 -104 -325 -23 100 167 -261 74 -309 -59 900000 74 -1703 900000 -1005 -1140 900000 -624 900000 -1123 -1955 85 -1054 -1635 -838 900000 -113 -142 178 -279 -46 -617 -117 -977 -450 -512 -648 -879 -435 -512 414 302 -362 -80 -986 569 -314 1806 404 -382 -354 84 75 368 795 80 -598 -373 1231 29 880 -101 -4 600 751 402 577 -695 500 -155 287 -143 -67 815 -439 633 265 -202 442 741 529 613 562 -637 516 372 -969 -970 278 204 -211 -903 -652 -346 -494 -1049 -106 226 8 1187 1044 524 377 -65 -255 508 0 510 321 -356 -22 -1038 -968 -1058 -38 -1083 -794 -1622 381 -494 132 461 780 778 223 331 216 -143 -620 -203 -1034 22 22 569 294 1204 -3 1354 397 564 422 35 -324 357 -225 -735 -53 233 392 -605 165 -665 -123 SS 20241009T131704.7Z 9048.553527 60 1 49.43 2 78.61 104.46 153.94 95.40 0.00 1 0.00 1 0 25 1.467e-01 4.879e-03 5.649e-02 1.336e-03 5.575215e-01 6.992013e-04 5.986367e-03 -6.000000e+00 8.425323e-02 227.22 -2.00 3.24 -2.00 320.32 0.00e+00 8.820470e-04 2.676947e-04 3.039245e-04 -6.000000e+00 3.852120e-03 291.70 -2.00 20.00 -2.00 319.58 0.00e+00 4.891 0.001 302.00 328.00 3 1.3828e+00 2.1645e-03 5.5480e-02 -6.0000e+00 2.0845e-01 -2.1814e-02 2.7491e-03 2.7271e-02 -6.0000e+00 2.2558e-01 1.0445e-02 2.4681e-03 1.3518e-02 -6.0000e+00 1.3519e-01 -1.4094e-02 1.2527e-03 4.3605e-03 -6.0000e+00 5.8455e-02 5.8833e-04 -3.1148e-04 3.7677e-05 4.6060e-05 -6.0000e+00 3.9837e-03 -5.1258e-02 2.2436e-04 10 0 0 10 0 0 5.08 24.07 0.34 -0.05126 -0.05360 200 42 1 5 0 247.090 26.62 20.00 24.07 24.62 32.7 1062.42 -74964 -50339 -729 -19553 -1152 -76601 29564 -70448 28300 -40673 -43206 -1949 -46627 -5512 -36024 -1805 -12015 8294 -13619 -2988 -8552 -4801 -5926 -7116 -10250 4 -8264 -10175 -1505 -10503 7634 1116 897 -3043 -4306 -340 -469 8298 -1 -1332 -2737 1030 -1285 735 433 2316 -2553 -384 1423 313 262 1032 -230 733 1992 468 1305 -1253 855 -129 823 -781 544 850 1411 506 507 -406 766 1380 802 1228 191 8 894 869 -1675 -445 -540 -670 -852 -1151 -1651 -1362 -974 -769 95 201 539 872 1038 1031 507 28 125 235 145 558 108 -96 -77 -349 -855 -506 -738 -897 -915 -554 -405 1199 46 278 357 191 13 -49 197 -116 -149 -165 -385 -202 -75 4 160 459 137 467 413 341 264 52 -123 101 -185 -88 -88 113 98 -62 -87 -85 -210 -684 -423 -4 -130 -6 -817 131 -893 170 -487 -558 -18 -850 -84 -930 -40 -329 204 -455 -96 -301 -164 -215 -288 -431 0 -375 -458 -66 -485 340 63 58 -223 -311 -23 -35 680 0 -166 -394 154 -208 120 72 386 -455 -69 258 61 56 245 -61 209 555 138 397 -394 258 -39 251 -264 204 357 623 220 214 -175 355 682 446 719 113 5 468 439 -798 -206 -271 -368 -547 -847 -1262 -1104 -841 -711 86 190 512 803 951 877 411 23 111 223 159 653 139 -120 -96 -399 -952 -556 -821 -1068 -1147 -736 -549 1768 72 460 595 308 20 -75 296 -173 -235 -275 -652 -334 -120 7 249 686 197 674 621 574 465 98 -231 200 -374 -189 -196 244 214 -139 -185 -172 -426 SS 20241009T132300.2Z 9048.557641 63 1 49.42 2 77.37 105.26 152.73 95.87 0.00 1 0.00 1 0 25 1.006e-01 4.972e-03 2.166e-02 9.724e-04 5.089034e-01 5.033549e-04 5.509611e-03 -6.000000e+00 5.778810e-02 227.22 -2.00 3.24 -2.00 319.86 0.00e+00 8.456570e-04 1.629543e-04 2.408399e-04 -6.000000e+00 2.642335e-03 291.70 -2.00 20.00 -2.00 319.06 0.00e+00 4.445 0.001 302.00 328.00 3 1.2944e+00 1.4828e-03 5.0445e-02 -6.0000e+00 1.4297e-01 -2.0608e-02 1.8129e-03 2.4741e-02 -6.0000e+00 1.5473e-01 8.8493e-04 1.5065e-03 1.2158e-02 -6.0000e+00 9.2729e-02 -7.3581e-03 7.8356e-04 3.7750e-03 -6.0000e+00 4.0091e-02 1.0318e-03 -3.0644e-04 2.7545e-05 4.0065e-05 -6.0000e+00 2.7326e-03 -5.1167e-02 2.0359e-04 10 0 0 10 0 0 56.29 24.09 0.25 -0.05117 -0.05347 273 58 1 5 0 181.010 26.62 19.98 24.09 25.03 32.7 1064.79 -13663 -40079 -37312 -38324 -30375 -53177 -6099 -39362 -9303 -17247 -35922 -7759 -27334 -5180 -19092 20354 -8922 5940 -7983 -1180 -7569 -3618 -4227 -1937 -5475 -2846 -2975 -7198 -2619 -5783 2259 -629 3198 -749 -2671 -1210 -2298 1701 -1380 -1484 -2412 -109 -461 719 -281 1424 -1241 384 340 112 663 329 524 1585 1037 445 1449 -535 922 -235 766 208 1538 1617 1096 313 340 -97 207 1003 301 746 395 523 728 472 -1012 -1053 -814 -915 -766 -909 -1655 -1528 -814 -752 -132 47 459 902 999 661 447 313 191 209 88 492 244 -79 -164 -592 -819 -486 -678 -835 -825 -686 -443 817 186 262 317 172 148 137 149 -21 -78 -186 -557 -280 -143 107 282 570 158 686 435 580 294 48 -34 120 -12 -72 -297 119 -23 -114 -138 -153 -179 -132 -587 -573 -581 -390 -839 -65 -675 -136 -297 -777 -138 -719 -136 -647 598 -359 225 -375 -55 -389 -180 -221 -108 -345 -186 -200 -488 -164 -387 159 -53 297 -78 -274 -120 -252 196 -202 -262 -486 -23 -103 163 -65 330 -299 93 84 27 174 96 167 541 378 170 567 -215 357 -91 301 83 681 796 570 159 166 -48 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