File name: Pandora55s1_QueensNY_20241101_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241105T130807.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241101_L1_smca1c18d20230426p1-8.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: 20241101 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20241101T155150.1Z 9071.660997 184 1 50.46 2 56.53 166.33 60.58 166.57 0.00 1 0.00 1 0 25 1.258e-02 6.725e-03 2.955e-03 1.287e-03 2.136506e-01 6.608022e-04 2.631109e-03 -6.000000e+00 7.373817e-03 224.39 -2.00 3.51 -2.00 316.58 0.00e+00 6.223199e-05 8.074382e-05 6.249089e-05 -6.000000e+00 3.294710e-04 282.12 -2.00 20.00 -2.00 315.88 0.00e+00 1.807 0.000 302.00 328.00 3 4.1677e+00 1.7132e-03 2.0984e-02 -6.0000e+00 1.8165e-02 5.3300e-03 1.9207e-03 1.0926e-02 -6.0000e+00 1.9726e-02 1.0658e-02 1.1176e-03 5.4096e-03 -6.0000e+00 1.1790e-02 -7.8458e-03 5.2425e-04 1.5426e-03 -6.0000e+00 4.9897e-03 1.0776e-03 -1.6434e-04 4.0021e-05 2.0890e-05 -6.0000e+00 3.7503e-04 -5.2598e-04 0.0000e+00 11 9 0 11 8 0 99.99 22.31 0.24 -0.00053 -0.00176 189 36 1 5 0 266.920 26.11 20.01 22.31 27.34 38.0 1052.35 -1869 -4207 1774 -7082 260 -773 315 4636 1508 256 -2920 1188 -1318 1238 1915 491 -2602 110 1740 819 -1491 783 1701 -878 279 -506 1623 -1014 -273 -170 2291 1956 1854 -1649 -1026 2254 -942 373 286 421 -1991 -673 -1723 -1125 -1099 77 -1440 -502 -292 410 1180 343 360 1062 1478 453 1123 519 818 794 1158 1712 837 248 -759 -574 -136 319 1291 994 158 -90 -247 -791 25 -396 533 793 1173 -121 -184 -217 -1553 -941 -1305 -764 -1056 -445 -799 -398 -317 162 396 1450 1342 1156 821 790 -241 -665 -402 -640 59 773 382 -717 -397 -706 -122 221 -98 -178 -296 -184 -236 535 611 729 674 -116 -752 -205 -95 -49 95 78 357 1258 1063 266 526 95 353 362 316 -281 -120 160 -326 -585 -451 -231 -268 148 -304 -768 317 -1330 42 -119 48 744 275 50 -594 234 -282 286 490 139 -793 34 542 265 -501 261 564 -307 101 -191 608 -378 -96 -57 759 681 687 -653 -400 826 -362 156 137 230 -1218 -431 -1148 -756 -741 51 -963 -327 -186 258 744 227 250 761 1092 343 864 403 632 608 890 1349 700 220 -694 -516 -116 256 1025 836 144 -87 -245 -786 24 -363 450 626 901 -97 -160 -204 -1566 -988 -1430 -873 -1266 -551 -1010 -501 -387 188 431 1482 1346 1203 912 940 -307 -876 -525 -804 71 895 454 -899 -516 -950 -168 314 -145 -270 -453 -275 -337 721 791 938 890 -161 -1092 -303 -140 -71 134 106 473 1607 1356 351 724 136 511 531 474 -438 -194 263 -544 -984 -751 -377 -429 234 SS 20241101T155653.7Z 9071.664511 188 1 50.45 2 56.31 167.78 60.39 167.90 0.00 1 0.00 1 0 25 8.626e-03 6.504e-03 4.480e-04 2.553e-04 2.133808e-01 1.326176e-04 2.650049e-03 -6.000000e+00 5.055308e-03 224.39 -2.00 3.51 -2.00 315.69 0.00e+00 5.960943e-05 1.326699e-05 4.812148e-05 -6.000000e+00 2.258863e-04 282.12 -2.00 20.00 -2.00 315.04 0.00e+00 1.797 0.000 302.00 328.00 3 1.2892e+00 3.3980e-04 2.0892e-02 -6.0000e+00 1.2454e-02 5.9619e-03 3.7897e-04 1.0905e-02 -6.0000e+00 1.3524e-02 2.8669e-04 2.1786e-04 5.4068e-03 -6.0000e+00 8.0830e-03 -2.6166e-03 9.8253e-05 1.5418e-03 -6.0000e+00 3.4206e-03 1.9431e-02 -2.9467e-04 7.8701e-06 2.2236e-05 -6.0000e+00 2.5713e-04 -1.4165e-04 0.0000e+00 11 8 0 10 0 0 99.95 22.31 0.21 -0.00014 -0.00236 921 174 1 5 0 54.760 26.11 20.00 22.31 27.47 38.1 1053.86 -1056 -1838 -2769 -3606 -1879 -339 851 985 926 -751 -187 718 953 889 502 -300 -318 74 316 646 -108 1034 1190 991 507 283 -710 -785 345 1327 1349 1642 1639 -1039 -696 192 244 446 522 -568 -1252 -925 -1182 -995 -866 -697 -1099 -784 -602 439 812 662 875 715 668 551 791 316 657 832 1354 1256 1165 445 -713 -294 -102 382 1314 923 121 -272 -707 -459 -766 -275 93 452 1215 274 37 -783 -1433 -1235 -1030 -1022 -715 -506 -449 -626 -226 262 341 1309 1449 1295 862 797 -348 -525 -405 -545 28 750 79 -758 -294 -732 -107 -33 -98 -334 -259 -119 -40 557 804 780 632 -16 -621 -434 -280 -306 191 216 509 1453 1073 497 554 8 242 136 256 -306 -238 119 -455 -481 -296 -221 -247 77 -257 -461 -725 -918 -463 -76 190 240 233 -205 -51 197 276 288 172 -114 -128 31 126 265 -46 436 502 432 234 136 -349 -373 152 552 597 717 766 -521 -343 90 117 223 291 -357 -888 -667 -887 -759 -661 -530 -828 -574 -427 319 566 486 681 558 542 459 670 271 557 696 1134 1047 1041 410 -688 -276 -93 337 1138 824 115 -270 -728 -468 -753 -261 83 384 986 236 34 -767 -1478 -1298 -1140 -1160 -865 -620 -564 -783 -271 301 372 1356 1524 1370 961 943 -437 -668 -509 -669 33 878 93 -921 -377 -953 -144 -46 -137 -488 -380 -168 -55 720 1012 973 820 -22 -862 -620 -398 -425 262 283 655 1838 1355 637 727 12 343 191 370 -452 -359 184 -725 -771 -468 -339 -378 115 SS 20241101T160228.9Z 9071.668390 191 1 50.51 2 56.11 169.38 60.21 169.38 0.00 1 0.00 1 0 25 8.669e-03 6.561e-03 5.763e-04 3.245e-04 2.128644e-01 1.675356e-04 2.639038e-03 -6.000000e+00 5.080343e-03 224.39 -2.00 3.51 -2.00 315.74 0.00e+00 4.199421e-05 1.702191e-05 4.891480e-05 -6.000000e+00 2.270043e-04 282.12 -2.00 20.00 -2.00 315.09 0.00e+00 1.788 0.000 302.00 328.00 3 1.7700e+00 4.2946e-04 2.0791e-02 -6.0000e+00 1.2515e-02 5.9329e-03 4.7962e-04 1.0867e-02 -6.0000e+00 1.3591e-02 9.6418e-04 2.7551e-04 5.3876e-03 -6.0000e+00 8.1230e-03 -2.8933e-03 1.2465e-04 1.5328e-03 -6.0000e+00 3.4376e-03 1.2135e-02 -2.7833e-04 9.9391e-06 2.1748e-05 -6.0000e+00 2.5840e-04 -1.6029e-04 0.0000e+00 11 8 0 10 0 0 99.86 22.31 0.21 -0.00016 -0.00225 615 116 1 5 0 82.110 26.11 19.97 22.31 27.60 38.0 1054.09 -900 -1961 -2569 -3646 -1852 -412 700 1269 755 -656 -262 897 801 810 675 -373 -423 31 498 602 -59 1009 1265 729 655 57 -454 -783 429 1369 1336 1709 1517 -1045 -720 326 320 530 575 -597 -1337 -1015 -1186 -1142 -835 -730 -1161 -796 -677 456 847 573 780 788 642 622 827 366 604 873 1347 1402 1156 457 -756 -285 -93 395 1221 890 139 -286 -641 -505 -728 -291 148 510 1183 285 78 -705 -1517 -1240 -1073 -1015 -713 -496 -453 -643 -189 228 349 1296 1423 1329 871 795 -267 -532 -390 -504 13 785 57 -780 -270 -730 -83 12 -68 -357 -257 -153 -73 590 795 815 721 -33 -571 -650 -289 -251 157 186 494 1432 1094 493 548 55 246 154 205 -311 -202 110 -498 -486 -266 -220 -249 108 -201 -488 -665 -920 -452 -92 155 305 189 -177 -71 243 230 260 229 -141 -169 13 197 244 -25 421 528 315 298 27 -221 -368 187 563 548 737 702 -518 -351 151 151 262 336 -370 -939 -724 -880 -862 -630 -548 -865 -576 -476 328 614 416 600 608 515 512 692 311 506 721 1114 1207 1020 416 -721 -264 -83 343 1044 785 131 -292 -651 -509 -736 -272 131 427 996 242 71 -681 -1544 -1339 -1173 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