File name: Pandora55s1_QueensNY_20211206_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T104939.5Z 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_20211206_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: 20211206 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 20211206T164302.1Z 8010.696553 192 1 5.89 2 63.31 179.10 76.33 145.32 0.00 1 0.00 1 0 25 1.278e-02 6.895e-03 6.032e-03 2.420e-03 2.637126e-01 1.237889e-03 3.222789e-03 -6.000000e+00 7.436964e-03 222.95 -2.00 3.51 -2.00 316.72 0.00e+00 -1.257800e-04 1.557105e-04 7.781888e-05 -6.000000e+00 3.293104e-04 278.22 -2.00 20.00 -2.00 316.09 0.00e+00 2.214 0.000 302.00 328.00 3 2.8315e+00 3.2049e-03 2.5646e-02 -6.0000e+00 1.8286e-02 1.2948e-02 3.5990e-03 1.3316e-02 -6.0000e+00 1.9904e-02 -3.4579e-03 2.1128e-03 6.6277e-03 -6.0000e+00 1.1880e-02 -2.1053e-03 1.0039e-03 1.8980e-03 -6.0000e+00 5.0124e-03 2.5522e-03 -1.9382e-04 7.4433e-05 2.5233e-05 -6.0000e+00 3.8106e-04 -6.6838e-03 1.6593e-04 12 9 1 12 1 1 99.97 22.71 0.26 -0.00668 -0.00814 14 25 1 5 0 380.980 25.58 20.00 22.71 18.80 30.5 1013.85 -3818 -1358 -1728 -3905 -4134 1889 -1776 6349 2168 -1729 739 26 517 -2898 2695 -1799 -860 -2428 3219 1171 -451 594 1874 216 835 702 -137 -1077 -725 463 -220 2374 816 -1319 -482 1267 643 151 133 -1663 -1045 -981 -1024 -811 -987 -620 -1466 -172 -262 1083 117 1252 89 1332 820 1298 872 294 511 853 1573 1223 1307 -116 -560 -639 413 145 1499 947 -340 -378 -720 -422 -809 430 98 1306 1514 530 -609 -759 -1412 -1118 -1401 -1018 -434 -516 -188 -760 -248 36 602 1154 1046 1501 881 747 -552 -171 -887 -571 -296 1309 335 -521 -269 -905 -18 -294 90 -462 -143 -352 93 674 726 918 321 -66 -731 -525 -324 57 126 231 581 1326 809 182 663 -279 540 72 355 -272 57 71 -306 -461 -207 -418 -271 58 -549 -209 -276 -616 -610 250 -247 901 352 -307 131 5 101 -646 642 -485 -243 -715 935 358 -142 188 590 71 287 250 -50 -384 -247 151 -73 822 305 -518 -187 473 247 64 64 -908 -617 -610 -654 -524 -640 -402 -947 -109 -164 669 74 821 61 948 603 970 666 227 391 645 1195 958 1076 -101 -500 -563 345 117 1208 809 -313 -364 -708 -412 -771 388 83 1046 1196 438 -546 -728 -1438 -1180 -1536 -1158 -512 -628 -231 -934 -297 42 649 1191 1073 1597 996 900 -707 -224 -1158 -718 -356 1527 401 -653 -348 -1209 -24 -415 132 -694 -216 -522 132 914 956 1204 433 -92 -1064 -774 -475 83 178 317 774 1721 1057 246 930 -405 795 108 542 -429 93 118 -511 -774 -344 -683 -433 92 SS 20211206T164710.7Z 8010.699429 195 1 46.35 2 63.31 180.17 75.90 146.13 0.00 1 0.00 1 0 25 1.052e-02 6.550e-03 1.885e-03 6.555e-04 2.642473e-01 3.343961e-04 3.235176e-03 -6.000000e+00 6.121904e-03 222.95 -2.00 3.51 -2.00 317.10 0.00e+00 -3.328042e-06 4.609828e-05 8.758916e-05 -6.000000e+00 2.710835e-04 278.22 -2.00 20.00 -2.00 316.46 0.00e+00 2.214 0.000 302.00 328.00 3 2.2453e+00 8.7120e-04 2.5685e-02 -6.0000e+00 1.5053e-02 9.5097e-03 9.8056e-04 1.3406e-02 -6.0000e+00 1.6384e-02 1.1003e-03 5.8356e-04 6.6721e-03 -6.0000e+00 9.7790e-03 -5.0092e-03 2.8233e-04 1.9114e-03 -6.0000e+00 4.1261e-03 4.5838e-03 -9.8688e-05 2.0278e-05 2.5016e-05 -6.0000e+00 3.1369e-04 -6.7976e-03 1.5834e-04 11 8 0 10 0 0 99.99 22.71 0.22 -0.00680 -0.00754 481 91 1 5 0 96.330 25.58 20.00 22.71 19.06 30.7 1015.80 -1203 -1833 -2093 -6247 -1276 -1643 1683 1298 1569 -1421 -1102 1180 201 633 656 -628 -1774 1041 228 771 -219 811 1333 618 431 -36 306 -1018 833 986 1811 1830 1678 -1550 -774 849 259 678 647 -458 -1710 -1098 -1615 -1321 -1150 -746 -1420 -829 -727 498 738 300 861 720 646 558 997 263 812 969 1391 1510 1259 388 -746 -232 132 684 1469 1144 188 -349 -594 -671 -574 -313 507 950 1505 305 126 -657 -1470 -1046 -1079 -1001 -723 -426 -496 -517 -242 309 384 1466 1533 1347 942 758 -364 -598 -366 -670 206 809 64 -849 -413 -769 -131 -29 -92 -408 -346 -117 -146 697 752 873 620 -207 -695 -555 -240 -260 228 217 670 1489 966 373 447 -51 212 160 256 -234 -225 140 -425 -358 -280 -166 -163 37 -142 -242 -286 -861 -154 -186 188 161 217 -216 -170 182 34 114 135 -145 -443 264 61 211 -58 229 378 173 129 -11 97 -315 253 288 533 547 544 -544 -266 277 88 258 278 -234 -943 -646 -946 -786 -685 -464 -840 -501 -431 290 440 182 553 490 458 408 741 190 604 710 1024 1109 1000 320 -645 -194 107 523 1123 956 168 -323 -568 -635 -540 -272 412 742 1145 239 111 -622 -1470 -1109 -1162 -1150 -850 -524 -625 -645 -289 353 418 1470 1521 1423 1057 908 -464 -798 -480 -856 252 950 78 -1078 -533 -1043 -178 -42 -136 -631 -539 -176 -212 963 985 1138 845 -292 -1042 -822 -364 -383 322 302 886 1946 1275 504 647 -76 321 239 400 -374 -377 233 -727 -614 -473 -280 -264 62 SS 20211206T165219.9Z 8010.703008 198 1 45.92 2 63.32 181.50 75.38 147.15 0.00 1 0.00 1 0 25 9.552e-03 6.623e-03 8.085e-04 3.462e-04 2.639721e-01 1.772299e-04 3.241100e-03 -6.000000e+00 5.556109e-03 222.95 -2.00 3.51 -2.00 316.57 0.00e+00 -4.428294e-05 2.145033e-05 6.112077e-05 -6.000000e+00 2.460781e-04 278.22 -2.00 20.00 -2.00 315.94 0.00e+00 2.215 0.000 302.00 328.00 3 1.1603e+00 4.5799e-04 2.5672e-02 -6.0000e+00 1.3661e-02 2.9203e-04 5.1405e-04 1.3354e-02 -6.0000e+00 1.4871e-02 -5.4502e-03 3.0000e-04 6.6514e-03 -6.0000e+00 8.8757e-03 -8.2986e-04 1.4122e-04 1.9051e-03 -6.0000e+00 3.7443e-03 1.3651e-02 -3.0836e-04 1.0621e-05 2.5497e-05 -6.0000e+00 2.8478e-04 -6.0768e-03 1.3381e-04 11 8 0 10 0 0 99.90 22.71 0.21 -0.00608 -0.00839 537 102 1 5 0 85.500 25.58 20.00 22.71 19.35 30.6 1016.99 -1971 -2108 -3512 -4118 -2580 -1021 281 774 789 -1121 -347 623 1100 430 750 -416 -456 -424 360 678 -127 1035 1099 969 408 187 -618 -759 358 1421 1458 1638 1459 -1332 -700 271 622 679 637 -519 -1334 -996 -1274 -1065 -843 -602 -1121 -705 -732 560 673 629 796 720 553 550 875 182 613 795 1477 1340 1276 317 -739 -215 85 672 1569 1058 133 -304 -700 -515 -807 -183 308 740 1457 404 53 -810 -1491 -1277 -1053 -1016 -669 -578 -546 -690 -167 221 397 1406 1542 1298 829 726 -439 -607 -463 -531 144 950 14 -752 -379 -764 -138 -134 -172 -405 -311 -193 -6 673 926 883 578 -182 -682 -414 -260 -215 324 257 665 1506 1016 351 463 -72 279 212 258 -299 -213 80 -467 -450 -268 -201 -233 48 -296 -352 -615 -701 -397 -157 44 122 138 -214 -67 121 231 104 191 -119 -139 -135 110 214 -42 336 360 331 149 71 -240 -285 126 476 496 597 577 -532 -292 108 255 295 310 -284 -826 -625 -834 -708 -562 -399 -740 -454 -463 348 429 425 545 521 418 428 693 140 486 622 1157 1048 1076 277 -678 -192 74 546 1274 898 121 -298 -681 -516 -774 -168 268 589 1184 337 48 -781 -1517 -1381 -1154 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