File name: Pandora55s1_QueensNY_20240313_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240322T191754.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240313_L1_smca1c17d20220526p1-8.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: 20240313 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20240313T115431.6Z 8838.496199 59 1 50.55 2 82.32 100.20 100.29 59.94 0.00 1 0.00 1 0 25 7.961e-01 6.640e-02 2.236e-01 1.258e-02 9.871429e-01 7.654695e-03 1.161396e-02 -6.000000e+00 5.032893e-01 226.14 -2.00 3.51 -2.00 321.84 0.00e+00 -1.260252e-03 3.000042e-03 9.972798e-03 -6.000000e+00 2.402638e-02 277.03 -2.00 20.00 -2.00 321.34 0.00e+00 6.963 0.006 302.00 328.00 3 1.7523e+00 2.4991e-02 1.0300e-01 -6.0000e+00 1.2436e+00 1.8730e+00 2.9970e-02 9.1048e-02 -6.0000e+00 1.3560e+00 -2.0789e+00 2.0123e-02 3.5275e-02 -6.0000e+00 8.0464e-01 7.2932e-01 1.0502e-02 8.4365e-03 -6.0000e+00 3.4314e-01 2.3263e-05 -1.4739e-03 3.5486e-04 1.6301e-04 -6.0000e+00 2.6425e-02 1.4261e-02 0.0000e+00 12 9 8 11 36 0 75.58 22.84 0.48 0.01426 0.00319 14 3 1 5 0 3609.740 26.11 20.00 22.84 15.90 36.0 1068.48 56286 900000 -21092 900000 900000 57420 900000 298089 14049 -21968 7283 3388 -10235 900000 189579 19201 130021 900000 900000 900000 280763 900000 -46458 126458 -6236 4730 91027 -3390 -10191 37849 900000 -2137 140865 155338 900000 36860 -23055 900000 900000 42746 900000 10537 59173 57363 900000 -5787 900000 900000 900000 48896 97708 5396 900000 97759 131970 900000 353251 900000 85120 79711 900000 66083 -83874 225935 -12526 113168 3496 60002 58896 32508 78809 103084 11978 246386 20127 50331 241432 -11205 -1574 -9413 85373 29417 28433 1800 15245 -5425 -7028 -8492 11418 3675 -10934 13269 4263 4233 8581 -8664 -51 3659 1162 -5934 1529 224 14445 9279 6978 -89 -6420 -2635 10334 5797 -11154 2221 -3636 -5708 -4604 -69 5840 -1558 -1334 -6245 2469 6506 15325 -1552 -1059 -3072 -1956 -2692 -3256 2585 4822 1861 625 1336 -1408 1293 -81 1826 -3698 -355 -1573 3000 -1093 4185 900000 -2795 900000 900000 2352 900000 3640 858 -1851 475 256 -1029 900000 3740 2043 4969 900000 900000 900000 3428 900000 -7128 3863 -664 432 3365 -279 -870 2214 900000 -237 4252 3961 900000 2556 -2962 900000 900000 4209 900000 1484 5162 4868 900000 -823 900000 900000 900000 4692 6431 915 900000 7812 7859 900000 4313 900000 6872 6392 900000 6455 -37109 5956 -3266 9072 794 8477 9250 7216 11988 12538 3252 6667 4089 6879 5172 -2757 -404 -3078 13371 8827 9375 803 6276 -2815 -3801 -4689 5128 1692 -5435 5021 1760 1883 4214 -5828 -37 2903 1023 -5636 1280 172 8846 5828 4665 -67 -5399 -2314 9009 5998 -15102 2902 -5179 -8266 -6468 -92 7426 -2182 -1942 -9651 3469 8434 17665 -2017 -1341 -3859 -2411 -3531 -4852 4200 8561 3675 1331 3014 -3431 3225 -207 4650 -9787 -885 -3735 6416 -2328 SS 20240313T121322.8Z 8838.509292 64 1 50.45 2 78.82 103.39 97.22 63.08 0.00 1 0.00 1 0 25 6.308e-01 1.200e-02 7.852e-02 2.006e-03 8.187383e-01 1.127797e-03 8.996941e-03 -6.000000e+00 3.793682e-01 226.14 -2.00 3.51 -2.00 321.12 0.00e+00 5.667342e-03 5.301605e-04 1.408333e-03 -6.000000e+00 1.761289e-02 277.03 -2.00 20.00 -2.00 320.65 0.00e+00 4.980 0.002 302.00 328.00 3 1.1457e+00 3.6616e-03 6.6856e-02 -6.0000e+00 9.4032e-01 1.6345e-01 5.2223e-03 4.6957e-02 -6.0000e+00 1.0246e+00 -1.7662e-01 5.6751e-03 2.4381e-02 -6.0000e+00 6.0535e-01 6.3522e-02 2.6972e-03 1.1776e-02 -6.0000e+00 2.5402e-01 4.7564e-04 -2.5879e-04 5.5025e-05 1.1526e-04 -6.0000e+00 1.9418e-02 1.4021e-02 0.0000e+00 12 9 8 11 4 0 31.35 22.85 0.25 0.01402 0.01208 122 23 1 5 0 413.420 26.11 20.00 22.85 17.03 36.1 1074.03 -267991 900000 -252838 -144887 900000 -254398 900000 -207987 -166353 -242201 -165574 -186475 -163236 900000 -81032 -83350 -116048 900000 3599 900000 -52062 37663 -96246 -28530 -50365 900000 -17820 -66383 -59312 -40364 23864 -34056 -242 -17353 120902 -17879 -20465 17519 14704 -3643 3611 -2014 -5609 5591 17455 -1309 8018 13368 13721 3816 8983 -447 19728 10306 9061 6272 5240 5147 2198 2906 9582 4802 -6081 7168 -946 5532 504 4492 1867 2125 1844 2480 -1104 2558 1072 1784 4921 -1346 614 -1811 2157 -1482 -961 -2257 -1369 -2162 -1394 -1282 -490 105 -65 1030 291 1064 152 -299 66 -672 -267 -656 -194 -56 1413 -713 -976 -931 -988 -535 328 -48 -988 -93 -375 -126 232 989 928 500 -413 -699 94 464 421 88 -17 332 1782 754 182 288 286 501 269 389 -368 -51 107 -430 -628 -179 -167 147 -203 -3364 900000 -3243 -640 900000 -3237 900000 -2131 -1262 -4119 -1566 -2721 -2561 900000 -974 -1226 -2667 900000 32 900000 -844 267 -2589 -444 -1026 900000 -281 -1678 -1506 -1011 407 -1206 -7 -618 1173 -660 -876 632 654 -222 228 -144 -437 404 1166 -108 636 1075 1191 401 1013 -61 2483 1528 1439 1069 914 892 382 501 1636 956 -1515 1768 -265 1482 144 1315 625 792 741 1014 -456 962 376 572 1498 -458 233 -821 1087 -864 -603 -1512 -958 -1593 -1057 -990 -372 77 -46 684 194 740 119 -267 66 -750 -315 -781 -220 -59 1367 -698 -993 -992 -1097 -629 414 -66 -1493 -146 -602 -198 355 1475 1390 773 -663 -1145 151 723 636 130 -24 467 2449 1082 285 495 530 976 546 823 -815 -117 249 -1005 -1467 -407 -365 307 -413 SS 20240313T121925.2Z 8838.513487 67 1 50.47 2 77.71 104.43 96.21 64.06 0.00 1 0.00 1 0 25 4.593e-01 8.425e-03 8.712e-02 1.431e-03 7.614434e-01 7.811067e-04 8.471777e-03 -6.000000e+00 2.731479e-01 226.14 -2.00 3.51 -2.00 320.79 0.00e+00 3.721010e-03 3.363316e-04 1.399088e-03 -6.000000e+00 1.197246e-02 277.03 -2.00 20.00 -2.00 320.30 0.00e+00 4.562 0.002 302.00 328.00 3 9.8017e-01 2.4335e-03 6.1282e-02 -6.0000e+00 6.7743e-01 9.0857e-02 3.3140e-03 4.2535e-02 -6.0000e+00 7.3631e-01 -7.1712e-02 3.5170e-03 2.1559e-02 -6.0000e+00 4.3596e-01 1.8179e-02 1.7138e-03 9.2728e-03 -6.0000e+00 1.8417e-01 8.9026e-04 -1.9497e-05 3.9210e-05 8.9150e-05 -6.0000e+00 1.4020e-02 1.3827e-02 0.0000e+00 11 9 0 11 4 0 58.91 22.85 0.13 0.01383 0.01368 184 35 1 5 0 274.210 26.11 20.00 22.85 17.45 36.1 1076.66 -210961 900000 -202399 -154231 -24993 -191680 900000 -154465 -100240 -175657 -82942 -140655 -91204 31700 -31092 -55278 -17451 103279 -9040 26413 -41690 2733 -62555 -21050 -46021 77468 -30257 -29008 -35543 -14656 9864 -18212 -1830 -10340 28557 -17605 -7792 927 2791 -4910 1502 -3967 -4111 2468 4774 693 976 7285 5792 1936 2208 -239 6728 4339 3038 1906 1765 2126 2384 911 5832 2882 -2974 2077 -163 3112 501 2807 1297 945 -250 1018 -1254 715 -738 1950 2430 574 460 -770 906 -1465 -1088 -1896 -1194 -1423 -1010 -889 -583 205 117 1087 1359 1425 575 499 269 -267 -391 -118 -360 378 1239 -325 -1070 -861 -860 -275 230 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