File name: Pandora55s1_QueensNY_20231118_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T124543.8Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20231118_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: 20231118 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 20231118T154833.2Z 8722.658717 169 1 1.55 2 61.20 166.00 103.44 111.80 0.00 1 0.00 1 0 25 9.865e-03 6.529e-03 3.389e-03 1.558e-03 2.708192e-01 8.016264e-04 3.337672e-03 -6.000000e+00 5.757317e-03 223.22 -2.00 3.51 -2.00 316.34 0.00e+00 5.032637e-05 9.298895e-05 6.492095e-05 -6.000000e+00 2.563119e-04 280.20 -2.00 20.00 -2.00 315.69 0.00e+00 2.066 0.000 302.00 328.00 3 1.0475e+00 2.0667e-03 2.4663e-02 -6.0000e+00 1.4156e-02 1.4242e-02 2.3162e-03 1.3706e-02 -6.0000e+00 1.5388e-02 -3.7244e-03 1.3427e-03 6.8307e-03 -6.0000e+00 9.1943e-03 -8.8248e-04 6.2728e-04 1.9554e-03 -6.0000e+00 3.8947e-03 1.7151e-02 -3.4709e-04 4.7662e-05 2.6929e-05 -6.0000e+00 2.9392e-04 -2.8206e-03 0.0000e+00 12 9 1 12 1 1 40.02 15.13 0.23 -0.00282 -0.00543 18 117 1 5 0 81.330 26.11 19.97 15.13 17.27 35.5 1002.15 -69 -3342 -3658 -5016 -2177 -1786 630 275 179 -527 -1092 570 -440 1040 386 716 -931 523 275 741 -74 1188 1738 499 893 568 461 -629 555 997 1486 1225 1767 -457 -972 -140 -167 795 129 -191 -1413 -1254 -1332 -850 -961 -593 -619 -1324 -502 468 989 231 922 620 733 344 819 8 481 1050 860 1636 1256 404 -398 -148 -218 638 1557 884 269 -200 -620 -321 -784 -177 50 441 1278 422 -108 -530 -1642 -1254 -1086 -1144 -931 -335 -507 -686 -134 345 302 1317 1577 978 785 832 -209 -639 -345 -522 -220 815 196 -767 -281 -824 -75 78 -93 -371 -173 11 -14 438 812 827 541 -38 -642 -687 -219 -464 360 349 459 1326 861 395 570 -25 369 104 437 -210 -423 199 -426 -400 -307 -163 -167 -123 -11 -639 -681 -992 -386 -293 102 49 36 -106 -225 117 -99 261 104 215 -305 176 91 252 -26 417 611 184 348 219 181 -257 212 364 545 482 707 -197 -419 -58 -70 370 68 -112 -903 -822 -911 -591 -642 -413 -428 -904 -333 305 656 156 661 451 557 270 655 7 386 828 681 1339 1065 357 -357 -135 -187 529 1278 758 248 -193 -621 -318 -776 -168 44 374 1045 352 -98 -516 -1706 -1336 -1179 -1280 -1110 -405 -630 -849 -159 391 335 1391 1630 1035 884 1004 -262 -846 -451 -665 -267 969 233 -951 -356 -1101 -101 108 -132 -541 -255 16 -20 589 1058 1067 727 -53 -925 -988 -320 -662 506 468 604 1707 1111 523 782 -36 536 151 656 -324 -671 324 -694 -654 -494 -260 -264 -189 SS 20231118T155234.1Z 8722.661506 172 1 1.44 2 61.03 167.07 102.76 112.36 0.00 1 0.00 1 0 25 9.277e-03 6.562e-03 3.155e-03 1.458e-03 2.680851e-01 7.501575e-04 3.303028e-03 -6.000000e+00 5.414237e-03 223.22 -2.00 3.51 -2.00 316.34 0.00e+00 -1.236439e-05 8.648930e-05 6.100341e-05 -6.000000e+00 2.410410e-04 280.20 -2.00 20.00 -2.00 315.70 0.00e+00 2.055 0.000 302.00 328.00 3 8.5736e-01 1.9314e-03 2.4488e-02 -6.0000e+00 1.3312e-02 1.0198e-02 2.1639e-03 1.3559e-02 -6.0000e+00 1.4471e-02 -1.3990e-03 1.2556e-03 6.7593e-03 -6.0000e+00 8.6465e-03 -1.7625e-03 5.8562e-04 1.9334e-03 -6.0000e+00 3.6625e-03 2.1101e-02 -3.7408e-04 4.4656e-05 2.6746e-05 -6.0000e+00 2.7641e-04 -2.5994e-03 0.0000e+00 12 9 1 12 1 1 57.25 15.12 0.25 -0.00260 -0.00541 21 147 1 5 0 64.880 26.11 20.02 15.12 17.31 35.5 1002.52 -2352 -1323 -3732 -2928 -1707 -1167 1255 823 964 -1459 -7 70 945 -416 785 -1238 -397 11 268 1199 -597 1450 896 1464 80 54 -155 -821 217 2054 1181 1396 1535 -1369 -571 -71 697 792 741 -400 -1305 -1007 -1153 -1025 -1171 -949 -813 -749 -802 525 657 472 658 836 459 525 743 399 1072 684 1853 1247 1217 488 -764 -47 -66 507 1207 1019 23 -198 -847 -321 -859 -227 205 526 1212 326 -91 -854 -1114 -1163 -916 -1083 -780 -572 -385 -758 -315 150 382 1255 1445 1390 832 754 -280 -390 -570 -547 57 778 -120 -781 -263 -890 24 -108 -200 -355 -308 28 -36 431 886 697 650 80 -785 -420 -409 -182 199 226 426 1484 1235 433 684 -30 385 220 69 -368 -112 -47 -505 -498 -172 -133 -269 15 -394 -246 -741 -562 -298 -189 200 144 189 -315 -1 15 207 -105 224 -375 -128 4 93 427 -209 501 313 527 31 22 -64 -332 82 731 428 540 644 -586 -241 -31 303 362 380 -232 -819 -648 -775 -702 -807 -652 -554 -500 -525 353 429 327 465 623 358 404 583 318 840 531 1427 1006 1012 441 -700 -42 -58 431 1017 890 21 -194 -833 -323 -834 -211 178 437 971 278 -83 -816 -1127 -1257 -1006 -1226 -909 -700 -467 -918 -377 172 415 1297 1519 1485 948 889 -354 -504 -729 -680 70 905 -145 -977 -337 -1164 33 -150 -287 -519 -456 41 -51 584 1162 907 878 113 -1139 -605 -586 -261 273 305 565 1925 1602 578 944 -42 563 320 105 -572 -178 -74 -823 -817 -278 -213 -427 24 SS 20231118T165317.5Z 8722.703675 212 1 16.67 2 60.09 183.49 92.81 121.21 0.00 1 0.00 1 0 17 2.045e-02 8.308e-03 6.541e-03 2.699e-03 2.573131e-01 1.385469e-03 3.157021e-03 -6.000000e+00 1.193232e-02 223.22 -2.00 3.51 -2.00 316.59 0.00e+00 -1.669599e-04 1.704418e-04 7.165388e-05 -6.000000e+00 5.312269e-04 280.20 -2.00 20.00 -2.00 315.93 0.00e+00 1.997 0.000 302.00 328.00 3 4.4155e+00 3.5813e-03 2.3703e-02 -6.0000e+00 2.9339e-02 2.7987e-02 4.0172e-03 1.3017e-02 -6.0000e+00 3.1893e-02 6.5934e-03 2.3516e-03 6.4890e-03 -6.0000e+00 1.9056e-02 -4.2916e-03 1.1153e-03 1.8588e-03 -6.0000e+00 8.0713e-03 6.4039e-04 -4.0896e-04 8.3056e-05 2.4824e-05 -6.0000e+00 6.0921e-04 -2.2649e-03 0.0000e+00 12 9 1 12 5 1 99.98 11.64 0.19 -0.00226 -0.00534 9 6 1 5 0 1665.670 26.11 19.97 11.64 15.67 35.5 994.37 -3615 -6189 9622 -9294 1587 1489 444 6456 4527 -2279 -1218 -1922 -2742 -5267 4488 774 -7162 678 3056 3004 1198 1334 1280 -1658 -99 -1238 4473 -1881 -420 -1002 2163 1112 1383 -2124 -1840 3401 -1575 -387 650 399 -1509 -198 -2250 -462 -807 1110 -2681 599 -382 1293 123 -415 -550 1257 1554 -221 2367 -103 993 1191 1817 1377 675 112 -183 -629 129 47 709 1237 -1064 29 -629 -536 301 -623 900 1419 1592 -757 338 -460 -1527 -720 -915 -882 -1049 -472 -929 -128 -319 41 -136 1054 815 1494 454 1036 -190 -666 -55 -727 244 762 426 -867 -446 -1245 264 285 35 -772 -188 -289 -314 417 307 1273 330 -57 -672 -202 109 -340 393 150 310 1456 973 241 928 -57 472 227 549 -133 -13 264 -395 -689 -422 -613 -448 245 -535 -1033 1449 -1621 234 206 63 941 742 -422 -228 -367 -563 -1227 1078 210 -2188 201 918 931 385 433 418 -572 -35 -463 1621 -700 -148 -342 724 397 525 -860 -741 1276 -625 -166 314 218 -914 -126 -1490 -307 -538 732 -1800 387 -245 816 79 -280 -388 911 1159 -170 1824 -81 775 919 1403 1095 565 99 -167 -568 111 39 580 1063 -993 28 -629 -533 290 -577 775 1151 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