File name: Pandora55s1_QueensNY_20220116_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111109.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220116_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20220116 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20220116T131108.6Z 8051.549405 295 1 49.53 2 82.09 126.47 103.48 322.31 0.00 1 0.00 1 0 25 6.542e-01 2.511e-02 2.223e-01 4.290e-03 9.305386e-01 2.513653e-03 1.035962e-02 -6.000000e+00 3.906999e-01 223.80 -2.00 3.51 -2.00 321.89 0.00e+00 8.374811e-03 1.378562e-03 7.332689e-03 -6.000000e+00 1.920512e-02 275.32 -2.00 20.00 -2.00 321.46 0.00e+00 6.792 0.006 302.00 328.00 3 4.6942e-01 9.0124e-03 9.5379e-02 -6.0000e+00 9.6946e-01 7.1656e-01 1.3342e-02 8.1273e-02 -6.0000e+00 1.0641e+00 -9.8530e-01 1.3958e-02 3.2586e-02 -6.0000e+00 6.2474e-01 4.1124e-01 6.3731e-03 1.0665e-02 -6.0000e+00 2.5994e-01 1.4690e-04 -3.3192e-03 1.1809e-04 1.4056e-04 -6.0000e+00 2.0051e-02 5.2759e-03 -8.9449e-05 12 9 8 11 8 0 95.39 22.71 0.41 0.00528 -0.01967 81 15 1 5 0 611.320 25.58 19.98 22.71 -5.30 28.1 1028.88 -134920 900000 900000 -229947 -25719 900000 -122674 900000 -11268 900000 -258389 133241 -184810 -206616 900000 -4050 -88794 -65196 900000 900000 900000 -28725 900000 -49471 27280 5599 900000 44943 -7363 -84923 -18179 900000 16732 -3333 73026 900000 -1157 -9092 313782 133654 64308 91225 32807 30463 77467 203331 38091 109171 102217 107464 36250 46797 15983 95654 70491 47705 58008 45213 57935 29699 17884 52338 20639 5029 34368 5458 31646 7109 16226 12658 3339 8824 16445 6057 15711 6379 7395 20006 -1314 5402 -1705 11362 744 1476 -2884 38 -3436 -2640 -2759 -491 -513 -1526 964 -1864 -2366 -1231 -4349 -2326 -1828 -4025 -2017 -1404 -761 1551 196 -1143 -2368 -1484 -1088 394 -1006 -3154 -691 -1029 -605 -1 1462 1294 345 -220 -436 527 2031 3133 482 1312 739 2383 518 298 676 715 1403 733 408 -193 493 256 -405 -910 -344 -558 -361 -1431 -1391 900000 900000 -7128 -107 900000 -1100 900000 -47 900000 -10058 556 -5064 -9196 900000 -41 -2358 -1536 900000 900000 900000 -508 900000 -1076 294 76 900000 403 -110 -2881 -389 900000 381 -101 1064 900000 -34 -318 1310 1626 1728 2061 1359 1330 2185 1735 1629 2494 2661 2883 2110 2763 1392 4321 4317 3759 4264 3725 4127 2651 1768 3959 2355 756 4398 964 4455 1295 2935 2646 849 2272 3990 1552 3406 1365 1440 3414 -297 1340 -540 3728 304 651 -1405 19 -1856 -1464 -1554 -267 -269 -767 458 -917 -1272 -755 -3190 -1944 -1713 -4122 -2040 -1336 -653 1214 154 -951 -2098 -1374 -1089 432 -1257 -4440 -1016 -1552 -903 -2 2070 1852 515 -344 -689 809 2960 4377 671 1777 982 3105 727 469 1189 1379 2878 1587 935 -465 1224 646 -1032 -2310 -840 -1295 -791 -3068 SS 20220116T132337.4Z 8051.558072 298 1 49.10 2 80.22 128.73 104.83 324.71 0.00 1 0.00 1 0 25 6.125e-01 1.242e-02 2.240e-01 2.413e-03 8.192317e-01 1.351893e-03 9.347752e-03 -6.000000e+00 3.614538e-01 223.80 -2.00 3.51 -2.00 321.37 0.00e+00 5.486736e-03 6.637907e-04 5.005469e-03 -6.000000e+00 1.675920e-02 275.32 -2.00 20.00 -2.00 320.91 0.00e+00 5.625 0.003 302.00 328.00 3 6.9790e-01 4.4905e-03 7.6261e-02 -6.0000e+00 8.9298e-01 1.7549e-01 6.6409e-03 5.9017e-02 -6.0000e+00 9.7576e-01 -1.7820e-01 7.4487e-03 2.5123e-02 -6.0000e+00 5.7890e-01 6.7259e-02 3.4995e-03 9.1848e-03 -6.0000e+00 2.4256e-01 4.1428e-04 -2.6070e-03 6.6979e-05 1.0800e-04 -6.0000e+00 1.8739e-02 5.0887e-03 -1.2259e-04 12 8 8 10 0 0 99.98 22.72 0.23 0.00509 -0.01450 171 32 1 5 0 287.130 25.58 19.98 22.72 -3.85 28.3 1028.32 -168831 900000 900000 -256371 -80157 -102851 -211577 900000 -55518 246652 -267055 -80697 -184445 -224441 900000 -50871 -76574 -163823 900000 194562 900000 -59232 13517 -61567 -33904 -30829 900000 -9624 -34455 -71139 -11272 43561 -25344 -31896 7168 84998 -13975 -18714 38024 14864 -4876 9793 -6571 1787 9180 27404 -3711 16765 21912 19768 3694 5308 1549 18248 15611 8856 8739 3894 7779 525 2251 8590 5601 -410 5642 -491 6522 590 4322 2065 591 -286 2004 -721 1838 417 2016 4950 -26 787 -949 2599 -306 -1181 -2269 -1230 -2016 -1157 -1374 -309 129 -18 847 659 394 1196 -325 384 -523 -1031 -801 -362 807 1565 -217 -1410 -995 -983 -126 259 -490 -1364 -364 -481 -273 524 1101 1312 358 -408 -763 14 510 509 -5 422 364 1851 593 -189 248 101 738 475 267 -491 60 216 -415 -729 -153 -136 -39 1 -586 900000 900000 -2898 -188 -250 -1562 900000 -130 580 -5031 -299 -2384 -5647 900000 -412 -939 -5155 900000 457 900000 -893 106 -1054 -487 -459 900000 -122 -568 -1794 -194 556 -739 -1100 178 1013 -439 -706 1019 589 -266 518 -430 113 561 1464 -274 1081 1442 1437 346 551 186 2058 1950 1243 1279 603 1146 81 344 1317 991 -87 1264 -122 1532 151 1145 627 203 -106 739 -265 615 130 573 1347 -8 275 -397 1214 -164 -690 -1419 -802 -1386 -819 -990 -218 87 -12 519 406 260 888 -280 372 -566 -1190 -923 -391 793 1439 -203 -1389 -1025 -1060 -144 323 -677 -2062 -573 -769 -426 794 1626 1952 553 -657 -1250 22 788 763 -7 602 508 2522 857 -301 436 192 1475 992 586 -1126 142 517 -1003 -1760 -356 -304 -82 2 SS 20220116T133555.2Z 8051.566611 306 1 12.00 2 78.43 131.01 106.09 327.13 0.00 1 0.00 1 0 25 5.227e-01 1.079e-02 1.707e-01 3.719e-03 7.176530e-01 1.991738e-03 8.224347e-03 -6.000000e+00 3.043232e-01 223.80 -2.00 3.51 -2.00 320.68 0.00e+00 4.112677e-03 8.141477e-04 2.119621e-03 -6.000000e+00 1.362892e-02 275.32 -2.00 20.00 -2.00 320.19 0.00e+00 4.826 0.002 302.00 328.00 3 1.1709e+00 6.0583e-03 6.1814e-02 -6.0000e+00 7.5035e-01 1.3907e-01 8.0197e-03 4.1231e-02 -6.0000e+00 8.1745e-01 -1.1427e-01 8.2877e-03 1.9606e-02 -6.0000e+00 4.8732e-01 3.7245e-02 4.0946e-03 7.3608e-03 -6.0000e+00 2.0632e-01 6.0269e-04 -2.1462e-03 1.0317e-04 7.7937e-05 -6.0000e+00 1.5623e-02 4.2093e-03 -1.0699e-04 12 9 9 12 1 1 79.85 22.72 0.22 0.00421 -0.01192 24 20 1 5 0 473.230 25.58 20.01 22.72 -2.68 28.4 1028.36 -212495 900000 900000 -190351 -145467 -132924 -126065 38396 -103957 -47807 -189238 -106791 -116653 -135578 344064 -16055 -37945 -46369 47576 32641 15723 -19443 15914 -42414 -23611 -21772 49704 -30858 -35118 -42632 -19084 855 -3223 -12342 11673 36065 -5391 -6585 20140 7810 -3077 5158 -5843 -1313 3710 10805 -3691 8683 3985 10349 6138 1746 475 7247 8969 154 5739 1172 2584 873 3046 6009 3794 -1175 2340 -164 2315 97 874 2596 -70 -476 738 -1669 -106 -406 1703 1905 -471 98 -95 206 -1574 -498 -2006 -1976 -717 -829 -614 -1002 -1047 921 564 1011 1437 1192 -324 275 -166 -816 -261 -710 834 1337 141 -990 -437 -1530 55 304 42 -1173 -360 120 -219 517 1462 1231 4 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