File name: Pandora55s1_QueensNY_20220212_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T113029.4Z 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_20220212_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: 20220212 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 20220212T131210.6Z 8078.550122 229 1 48.74 2 77.15 120.96 112.94 349.57 0.00 1 0.00 1 0 25 1.316e+00 9.523e-02 1.654e-01 6.985e-03 5.334704e-01 3.860245e-03 8.321665e-03 -6.000000e+00 7.876931e-01 224.78 -2.00 3.51 -2.00 319.83 0.00e+00 1.114000e-01 1.363567e-03 9.279751e-03 -6.000000e+00 4.079605e-02 275.26 -2.00 20.00 -2.00 319.56 0.00e+00 4.379 0.001 302.00 328.00 3 3.5413e+00 1.1204e-02 1.4620e-01 -6.0000e+00 1.9524e+00 1.5093e+00 1.2036e-02 2.4120e-01 -6.0000e+00 2.1447e+00 -2.0646e+00 6.4640e-03 2.9391e-02 -6.0000e+00 1.2527e+00 9.5608e-01 3.7760e-03 1.0402e-01 -6.0000e+00 5.2806e-01 5.9173e-05 -1.1574e-02 1.9363e-04 1.0694e-03 -6.0000e+00 4.0843e-02 1.5376e-02 -1.1835e-03 12 8 8 10 0 0 99.72 22.67 0.73 0.01538 -0.07160 14 3 1 5 0 3480.980 25.58 19.98 22.67 17.31 31.0 1053.44 900000 900000 900000 422395 900000 900000 376344 900000 900000 308083 90291 256233 133259 113067 900000 698175 261091 -18382 900000 900000 900000 311207 900000 178508 185515 112067 900000 122962 129225 122147 191389 479624 251801 184289 243160 900000 181022 142477 266108 170543 59054 132195 33986 74126 98702 201095 93512 190736 154849 163245 112970 100363 75188 123909 115660 43254 64240 23428 29758 9665 14801 48594 38240 23686 58077 25742 49899 16906 33022 22604 -2782 -2916 12281 -9674 11411 -11226 -184 15992 -3929 -1279 -10138 16377 2514 -2786 -14376 -10058 -16961 -11005 -15196 -6924 -9109 -9935 -5870 -13828 -16516 -14473 -12414 -5371 1666 -440 5023 4788 5163 6064 -146 -3551 -4943 -2345 -2217 1551 287 -5700 -781 -4105 -5479 -4118 -2372 2577 -277 1911 472 3958 7568 9760 2738 4848 3618 4745 2347 3681 7658 8049 6143 5687 2623 -56 61 -2364 -1901 -3694 -2967 -3378 -2413 -5942 900000 900000 900000 25861 900000 900000 10473 900000 900000 3081 5186 3028 7545 13744 900000 4744 22069 -21477 900000 900000 900000 13392 900000 11561 6760 5476 900000 4544 5483 7495 8785 3259 10907 15783 11126 900000 11027 11089 5810 8216 7309 7938 5349 9051 11037 10045 14498 13180 15818 15739 17412 17487 16599 16826 15667 10044 10528 4888 5473 2186 3575 10104 10369 8477 16730 10303 15442 6688 10963 8516 -1389 -1489 5331 -4827 4313 -4758 -65 4709 -1500 -559 -5723 8274 1552 -1868 -10879 -7571 -14098 -9076 -13392 -5738 -7504 -7795 -4100 -9770 -12152 -11732 -11556 -5525 1838 -536 5902 5360 5242 5651 -141 -3660 -5405 -2642 -2661 1958 398 -8879 -1212 -6504 -8445 -6020 -3342 3557 -409 2928 760 6231 11335 13984 4022 6780 4968 6344 3301 5549 12293 13773 11165 10647 5173 -116 129 -5168 -4166 -8184 -6403 -7023 -4743 -11542 SS 20220212T135128.1Z 8078.577409 254 1 2.26 2 71.03 128.58 113.67 358.73 0.00 1 0.00 1 0 25 3.213e-01 1.233e-02 1.719e-01 1.017e-02 4.593849e-01 5.256562e-03 5.458334e-03 -6.000000e+00 1.878685e-01 224.78 -2.00 3.51 -2.00 318.94 0.00e+00 -6.861666e-04 1.232665e-03 4.771504e-04 -6.000000e+00 8.277133e-03 275.26 -2.00 20.00 -2.00 318.36 0.00e+00 3.040 0.000 302.00 328.00 3 2.9522e+00 1.4360e-02 3.8302e-02 -6.0000e+00 4.6427e-01 6.7705e-03 1.6566e-02 2.3544e-02 -6.0000e+00 5.0527e-01 6.7282e-03 1.2529e-02 1.1889e-02 -6.0000e+00 3.0079e-01 -1.6348e-02 6.6179e-03 3.5118e-03 -6.0000e+00 1.2637e-01 7.6975e-04 -1.4524e-03 3.0784e-04 4.3149e-05 -6.0000e+00 9.5967e-03 -1.7128e-03 -9.7508e-05 12 9 9 12 1 1 999.00 22.67 0.22 -0.00171 -0.01263 1 9 1 5 0 1040.030 25.58 20.00 22.67 18.01 31.1 1057.36 -16729 141841 900000 -20971 317935 -26970 63103 -35952 79360 -23314 -7287 -8066 -14925 -39155 2612 6614 -1155 42430 12881 15094 9604 5642 -12055 -5237 332 -7859 11518 -3767 2683 -15358 6920 -7857 4058 -6932 722 -6377 -10130 3031 -974 3863 -6511 8139 -5610 847 -2075 6113 -4134 3884 487 370 1691 -2763 1290 5869 2710 150 436 2504 1963 -1546 3117 3692 611 -2565 -757 -324 599 1364 1201 462 -73 -633 -1723 -2197 1040 -2038 1801 2071 1689 -2117 153 1465 644 -2487 -359 -2809 -785 -253 -1797 1001 878 -486 305 1440 1807 -59 1543 -209 -221 -1221 1159 -312 -375 -246 530 -1033 -123 346 -184 1182 4 -540 -480 -701 441 1481 144 1094 319 -116 -1892 -254 -85 -1076 924 -194 163 1658 115 65 1436 -607 -368 425 -95 -99 5 651 -670 12 -210 532 -972 142 -399 1406 900000 -627 3152 -783 834 -1346 1152 -956 -272 -323 -729 -2844 153 428 -89 2348 994 1200 831 517 -1333 -579 38 -1023 1287 -475 310 -2084 821 -1194 620 -1241 122 -1127 -1927 583 -228 1012 -2088 2490 -2000 294 -742 2066 -1522 1345 175 137 650 -1178 571 2657 1323 77 231 1315 1028 -822 1608 1969 358 -1649 -503 -215 382 852 771 321 -55 -506 -1413 -1788 796 -1505 1209 1330 1099 -1514 119 1230 584 -2416 -357 -2968 -853 -281 -2049 1113 951 -508 302 1376 1749 -62 1713 -253 -284 -1638 1522 -397 -451 -288 628 -1285 -158 456 -253 1679 5 -849 -768 -1112 674 2167 207 1566 469 -178 -2996 -400 -133 -1653 1372 -282 232 2288 163 97 2236 -997 -619 728 -168 -181 9 1240 -1296 24 -401 985 -1766 254 SS 20220212T135525.1Z 8078.580152 257 1 27.63 2 70.45 129.39 113.68 359.66 0.00 1 0.00 1 0 25 1.262e-01 8.376e-03 4.096e-02 2.631e-03 4.501115e-01 1.356548e-03 5.289335e-03 -6.000000e+00 7.387882e-02 224.78 -2.00 3.51 -2.00 319.20 0.00e+00 9.475676e-04 3.416933e-04 3.807783e-04 -6.000000e+00 3.212316e-03 275.26 -2.00 20.00 -2.00 318.63 0.00e+00 2.955 0.000 302.00 328.00 3 3.3572e+00 3.7371e-03 3.7365e-02 -6.0000e+00 1.8258e-01 2.6312e-02 4.3439e-03 2.3202e-02 -6.0000e+00 1.9863e-01 -8.2020e-05 3.3716e-03 1.1570e-02 -6.0000e+00 1.1818e-01 -8.4433e-03 1.7739e-03 3.5040e-03 -6.0000e+00 4.9504e-02 5.5225e-04 -5.9341e-04 8.0118e-05 4.1563e-05 -6.0000e+00 3.7650e-03 -3.3803e-03 1.0009e-04 12 9 1 12 1 1 99.99 22.67 0.38 -0.00338 -0.00784 46 16 1 5 0 584.100 25.58 20.00 22.67 18.23 31.1 1058.80 -25484 10713 88062 -41188 12535 26646 -19538 68590 -938 -15849 -32921 -8606 -21610 -39170 25324 2009 -15666 -3755 14684 11231 12671 1910 2974 -6327 -3416 -4201 13364 -3002 -5426 -10871 1485 5721 375 -5754 1770 12998 -576 -1910 4861 2213 -3826 -1159 -3142 -2708 -170 2193 -2250 -242 642 3590 640 -200 -2378 2664 2388 722 2174 593 2077 282 350 2339 1462 -919 404 -1758 1236 -308 1898 1521 -472 -943 62 -1185 901 -294 969 3320 1022 264 -1174 472 -1143 -1226 -2044 -882 -990 -215 -605 -407 -217 93 887 1334 1004 944 608 405 -119 -607 -707 -391 1 970 237 -498 -712 -739 271 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