File name: Pandora55s1_QueensNY_20211120_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105233.4Z 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_20211120_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: 20211120 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 20211120T124206.6Z 7994.529244 292 1 49.90 2 82.05 124.88 88.20 298.29 0.00 1 0.00 1 0 25 6.225e-01 1.879e-02 1.549e-01 3.702e-03 8.282366e-01 2.133216e-03 9.430410e-03 -6.000000e+00 3.751197e-01 223.20 -2.00 3.51 -2.00 321.67 0.00e+00 8.741705e-03 1.182397e-03 6.847493e-03 -6.000000e+00 1.870308e-02 280.00 -2.00 20.00 -2.00 321.18 0.00e+00 6.756 0.006 302.00 328.00 3 4.0611e-01 7.7302e-03 9.1676e-02 -6.0000e+00 9.2886e-01 3.5585e-01 1.1419e-02 7.5982e-02 -6.0000e+00 1.0196e+00 -4.6096e-01 1.2080e-02 2.5995e-02 -6.0000e+00 6.0004e-01 1.8753e-01 5.5274e-03 1.2974e-02 -6.0000e+00 2.4966e-01 1.8952e-04 -3.2281e-03 1.0517e-04 1.0911e-04 -6.0000e+00 1.9384e-02 3.0783e-03 -1.4591e-04 12 8 8 10 0 0 4.09 22.68 0.35 0.00308 -0.02118 93 18 1 5 0 536.480 25.58 19.99 22.68 9.00 29.5 958.64 -220295 900000 900000 -304697 900000 900000 -174833 900000 900000 -173865 -228726 -187937 -196175 -202995 900000 -15692 -165848 900000 900000 900000 48108 54091 31840 -38451 -71374 -57365 900000 -21628 -66636 -98502 9204 58278 34951 -51992 49050 900000 18619 -13034 129378 48876 -3275 35925 -19846 23982 15844 94342 -12641 57849 23437 57476 16226 12330 1937 29598 41994 14351 36567 12546 33712 1549 16970 23220 14742 -1011 16071 -791 16625 4069 6737 9072 -4042 4623 6734 1851 8836 3234 6650 12256 3840 905 1472 2860 1877 -1346 -3874 -2298 -3359 -2185 -2888 157 -1019 -405 -1872 1465 -1334 -1415 -3085 49 -1133 -1525 -531 -921 922 2148 1044 -2464 -922 -1726 355 575 -182 -2531 -479 -290 -762 709 712 1779 -196 203 -958 -123 591 1697 300 1127 390 1618 977 -742 762 350 1423 589 563 -388 57 222 -517 -794 -433 -307 -209 -267 -1990 900000 900000 -8337 900000 900000 -1250 900000 900000 -1544 -3689 -2343 -3402 -5044 900000 -106 -5577 900000 900000 900000 279 296 219 -549 -1482 -1089 900000 -298 -1439 -3128 125 614 556 -2095 778 900000 403 -428 1303 1267 -158 1318 -1308 1101 805 2372 -892 2238 1328 2584 1182 1041 201 2597 3541 1639 3521 1517 3296 199 1899 2610 2018 -182 2755 -167 3021 852 1474 2175 -1218 1382 2010 560 2349 825 1521 2609 951 266 511 1133 846 -678 -2119 -1308 -2025 -1359 -1834 96 -609 -229 -1029 786 -786 -948 -2414 43 -1120 -1619 -559 -923 830 1791 880 -2241 -873 -1727 376 668 -236 -3667 -721 -442 -1152 1033 1015 2548 -294 317 -1531 -194 890 2458 428 1566 531 2167 1379 -1176 1327 663 2837 1240 1245 -907 138 544 -1281 -1962 -1041 -705 -456 -568 SS 20211120T130121.2Z 7994.542606 298 1 48.37 2 79.13 128.38 91.24 301.32 0.00 1 0.00 1 0 25 3.252e-01 7.330e-03 1.168e-01 1.290e-03 6.518490e-01 6.820410e-04 7.586162e-03 -6.000000e+00 1.889417e-01 223.20 -2.00 3.51 -2.00 320.60 0.00e+00 3.217580e-03 2.805148e-04 1.959931e-03 -6.000000e+00 8.431069e-03 279.99 -2.00 20.00 -2.00 320.04 0.00e+00 5.107 0.002 302.00 328.00 3 3.0303e-01 2.1072e-03 6.1818e-02 -6.0000e+00 4.6451e-01 5.9600e-02 2.7506e-03 3.7401e-02 -6.0000e+00 5.0577e-01 -3.6392e-02 2.7212e-03 1.7462e-02 -6.0000e+00 3.0211e-01 3.7097e-03 1.3478e-03 6.3157e-03 -6.0000e+00 1.2733e-01 1.2276e-03 -2.2329e-03 3.6765e-05 6.7861e-05 -6.0000e+00 9.6997e-03 2.6124e-03 -9.2529e-05 11 8 0 10 0 0 -8.29 22.68 0.25 0.00261 -0.01417 251 47 1 5 0 192.650 25.58 20.00 22.68 11.27 29.9 972.32 -96203 -67383 152608 -150372 -71791 -68550 -122206 73861 -101804 -74409 -124146 -62985 -88253 -62187 6919 -31757 -46068 -25912 22574 -7465 1522 -25411 -2092 -21547 -9568 -19946 13796 -6927 -21502 -20714 -13485 6883 -6640 -9945 -3547 13544 -7470 -4238 3850 -1085 -2864 -951 -2479 -3035 1240 2894 -730 1025 1533 4224 -112 1298 387 3766 2750 2623 1291 1159 1159 38 1394 2463 2231 338 1817 263 2901 654 2414 1106 -148 -195 -217 -1339 -206 -484 154 2019 907 1014 105 346 -1393 -1386 -1514 -998 -1221 -877 -832 -661 213 485 765 1470 1771 957 471 684 -327 -579 -515 -189 380 1211 -215 -1231 -1027 -824 -167 76 -81 -552 -224 -22 97 781 1028 1084 253 -496 -831 -453 -253 -126 -72 189 358 1686 845 133 214 0 424 245 94 -470 -135 5 -422 -520 -103 30 188 190 -594 -378 192 -1986 -452 -408 -1204 127 -1057 -706 -1926 -655 -1342 -945 74 -559 -1091 -565 334 -160 31 -695 -47 -632 -273 -677 346 -213 -769 -775 -539 271 -353 -559 -207 662 -475 -278 284 -102 -316 -114 -323 -415 167 392 -106 151 235 673 -19 242 81 838 665 671 348 318 314 10 373 694 706 115 668 101 1075 249 961 502 -72 -102 -116 -708 -107 -231 67 827 394 503 58 221 -960 -1040 -1213 -847 -1040 -779 -753 -589 191 407 603 1127 1428 876 473 747 -405 -730 -644 -231 418 1310 -239 -1389 -1225 -1039 -214 107 -120 -866 -368 -37 152 1219 1549 1642 403 -800 -1387 -747 -402 -202 -112 281 512 2448 1233 218 375 0 794 485 189 -1015 -293 11 -956 -1173 -224 63 394 388 SS 20211120T130729.4Z 7994.546868 301 1 47.85 2 78.22 129.53 92.19 302.31 0.00 1 0.00 1 0 25 1.935e-01 6.741e-03 3.904e-02 1.031e-03 6.106968e-01 5.408758e-04 7.177819e-03 -6.000000e+00 1.124232e-01 223.20 -2.00 3.51 -2.00 320.28 0.00e+00 1.791939e-03 1.996186e-04 1.496278e-03 -6.000000e+00 5.016651e-03 279.99 -2.00 20.00 -2.00 319.69 0.00e+00 4.746 0.002 302.00 328.00 3 2.8215e-01 1.6143e-03 5.7088e-02 -6.0000e+00 2.7639e-01 4.5576e-02 2.0294e-03 3.3414e-02 -6.0000e+00 3.0095e-01 -2.1262e-02 1.9132e-03 1.6128e-02 -6.0000e+00 1.7976e-01 -2.1582e-03 9.6871e-04 4.9781e-03 -6.0000e+00 7.5761e-02 1.8459e-03 -2.1717e-03 2.9890e-05 6.2287e-05 -6.0000e+00 5.7716e-03 2.6031e-03 -9.9898e-05 11 8 0 10 0 0 -3.89 22.67 0.20 0.00260 -0.01372 306 58 1 5 0 156.330 25.58 19.99 22.67 12.33 29.9 977.47 -71054 -64761 17791 -107197 -60391 -79220 -53995 -30252 -25557 -66808 -57874 -47715 -44754 -33412 -4568 -9795 -30417 -9135 7052 7010 -7423 -9625 -9863 -10738 -10028 -11957 7884 -8585 -8906 -18040 649 -1721 1891 -7910 -801 5258 -2665 -2899 2974 249 -3462 47 -4313 -806 -2017 1748 -2233 918 806 2185 1397 947 1204 1610 2583 1236 1436 -437 863 -25 1793 2204 2235 646 526 432 1416 1514 1929 1587 -279 -477 -569 -1000 -152 -190 570 1211 1362 232 380 -301 -1286 -1393 -1404 -1174 -1195 -547 -660 -353 -26 646 434 1686 1365 1316 550 657 -334 -553 -293 -343 371 817 -52 -1142 -617 -898 -19 23 -132 -509 -227 34 46 1014 980 1037 257 -481 -966 -642 -155 -242 -42 -85 629 1497 943 -53 357 -36 506 128 154 -442 -226 84 -499 -432 -138 -35 178 298 -530 -543 78 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