File name: Pandora55s1_QueensNY_20240724_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240725T050917.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240724_L1_smca1c17d20220526p1-8.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: 20240724 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240724T160731.8Z 8971.671896 399 1 50.58 2 24.06 147.15 120.21 287.07 0.00 1 0.00 1 0 17 1.353e-02 7.529e-03 2.714e-03 1.735e-03 1.629487e-01 9.313951e-04 1.937488e-03 -6.000000e+00 8.176546e-03 232.54 -2.00 3.51 -2.00 315.30 0.00e+00 -6.569365e-05 8.594638e-05 2.307998e-05 -6.000000e+00 3.669663e-04 289.82 -2.00 20.00 -2.00 314.56 0.00e+00 1.095 0.000 302.00 328.00 3 5.4605e+00 2.4160e-03 1.3924e-02 -6.0000e+00 2.0483e-02 1.4216e-02 2.6750e-03 8.4404e-03 -6.0000e+00 2.2092e-02 8.9523e-03 1.5263e-03 4.0822e-03 -6.0000e+00 1.3167e-02 -4.2997e-03 6.7060e-04 1.1113e-03 -6.0000e+00 5.5522e-03 6.4524e-04 4.1322e-04 5.3577e-05 1.5762e-05 -6.0000e+00 4.0698e-04 1.4703e-02 0.0000e+00 11 9 0 11 4 0 99.99 22.63 0.34 0.01470 0.01781 49 9 1 5 0 1031.800 26.21 19.99 22.63 33.94 38.1 1100.00 -4021 2945 -6582 -2871 1730 628 5502 944 -151 -2434 -315 -1752 -487 2871 -1299 -1772 3465 3293 1666 -966 751 1663 -1214 -416 -149 2876 -1269 -414 -248 364 2548 586 -1664 -1870 2659 -1051 -644 641 -291 -1676 -344 -1847 -955 -927 103 -1581 -203 -574 545 191 38 -145 1661 1595 436 1349 930 1041 953 1252 1539 943 -185 3 -947 498 -374 672 550 84 182 415 -581 465 -594 191 1029 361 -461 -1089 -302 -2070 -917 -1542 -750 -798 -112 -428 -205 -185 -425 272 1028 736 663 214 539 -133 -379 -267 -674 -309 968 40 -631 -156 -490 273 703 379 -277 72 -347 -265 5 532 714 396 -64 -682 43 405 657 102 252 -115 701 153 -323 455 306 272 284 375 -302 114 326 -55 -602 -205 -310 -393 -270 -1269 896 -2096 -821 443 163 1470 287 -49 -804 -102 -596 -178 1115 -557 -792 1511 1467 768 -463 357 786 -599 -212 -78 1477 -655 -201 -115 166 1178 288 -855 -950 1256 -518 -345 386 -199 -1253 -267 -1485 -774 -749 82 -1262 -157 -434 402 142 29 -116 1354 1335 372 1164 809 899 819 1081 1361 877 -180 3 -927 455 -326 576 495 81 186 432 -607 471 -577 172 864 294 -390 -992 -292 -2144 -982 -1716 -867 -964 -140 -543 -259 -228 -501 299 1062 743 689 236 630 -165 -485 -338 -824 -359 1095 47 -773 -199 -640 364 963 535 -401 104 -491 -358 6 650 867 494 -84 -932 60 562 897 136 325 -145 846 185 -400 582 403 364 382 515 -430 167 487 -84 -922 -311 -463 -575 -391 SS 20240724T162144.2Z 8971.681762 406 1 15.06 2 22.76 154.91 122.61 289.86 0.00 1 0.00 1 0 17 8.930e-03 6.818e-03 2.361e-03 1.750e-03 1.587030e-01 9.479393e-04 1.918759e-03 -6.000000e+00 5.398030e-03 232.54 -2.00 3.51 -2.00 314.57 0.00e+00 2.646970e-05 7.609319e-05 1.688185e-05 -6.000000e+00 2.422540e-04 289.82 -2.00 20.00 -2.00 313.91 0.00e+00 1.084 0.000 302.00 328.00 3 4.4482e+00 2.4413e-03 1.3728e-02 -6.0000e+00 1.3523e-02 1.5492e-02 2.6924e-03 8.2728e-03 -6.0000e+00 1.4585e-02 2.8294e-03 1.5398e-03 4.0103e-03 -6.0000e+00 8.6926e-03 -2.5060e-03 6.6285e-04 1.0944e-03 -6.0000e+00 3.6657e-03 1.8154e-03 4.5986e-04 5.3649e-05 1.6657e-05 -6.0000e+00 2.6866e-04 1.4221e-02 0.0000e+00 12 9 1 12 5 1 99.92 22.56 0.31 0.01422 0.01768 10 7 1 5 0 1368.340 26.21 20.02 22.56 34.20 38.3 1100.00 -2249 -383 -4169 -1269 483 1153 2493 1250 -470 -538 -93 -466 337 1141 -377 -1515 1469 1352 1322 -508 1407 1339 -113 387 49 725 -676 47 496 1011 1440 1470 -1311 -1173 1012 -361 -243 -33 -155 -1514 -705 -1499 -1205 -827 -542 -1578 -900 -480 308 498 222 504 1146 1125 507 1418 243 707 984 1146 1475 1126 -132 -712 -293 90 42 1634 832 189 -161 -224 -147 -137 -137 260 381 846 48 -447 -562 -1248 -1102 -1198 -1214 -803 -614 -488 -472 -22 54 116 1363 1090 967 395 779 -260 -401 -517 -722 -183 630 -19 -439 -489 -659 -93 272 314 -342 5 -278 -399 518 552 763 633 41 -424 -230 -63 -17 154 240 483 1301 999 228 467 180 345 192 204 -249 -376 309 -291 -717 -190 -222 -315 -218 -899 -154 -1667 -465 165 391 892 486 -193 -222 -38 -197 151 548 -194 -805 778 725 724 -285 784 746 -65 227 29 436 -401 27 269 541 786 836 -773 -685 565 -206 -149 -22 -115 -1216 -586 -1277 -1034 -707 -462 -1337 -746 -387 244 395 181 424 986 988 452 1276 220 638 882 1030 1353 1075 -132 -723 -292 85 38 1451 773 186 -166 -236 -154 -141 -135 242 335 725 42 -417 -555 -1297 -1183 -1327 -1393 -955 -752 -605 -585 -26 63 128 1415 1113 1011 433 899 -316 -499 -639 -866 -211 710 -22 -527 -607 -838 -121 361 426 -476 7 -377 -521 642 661 908 770 51 -558 -308 -84 -22 200 303 591 1541 1180 275 583 230 446 250 270 -340 -528 439 -421 -1045 -274 -316 -440 -303 SS 20240724T165958.6Z 8971.708318 430 1 2.47 2 21.09 178.76 128.81 298.03 0.00 1 0.00 1 0 25 8.255e-03 6.788e-03 1.724e-03 1.325e-03 1.558741e-01 7.191357e-04 1.893054e-03 -6.000000e+00 4.989970e-03 232.54 -2.00 3.51 -2.00 314.36 0.00e+00 9.016030e-05 5.562367e-05 3.193743e-05 -6.000000e+00 2.239411e-04 289.82 -2.00 20.00 -2.00 313.72 0.00e+00 1.072 0.000 302.00 328.00 3 2.1938e+00 1.8478e-03 1.3541e-02 -6.0000e+00 1.2500e-02 5.8376e-03 2.0357e-03 8.1376e-03 -6.0000e+00 1.3482e-02 1.7205e-03 1.1662e-03 3.9477e-03 -6.0000e+00 8.0355e-03 -2.9516e-03 4.9953e-04 1.0865e-03 -6.0000e+00 3.3886e-03 1.7696e-02 4.2042e-04 4.0607e-05 1.6967e-05 -6.0000e+00 2.4835e-04 1.4166e-02 0.0000e+00 12 9 1 12 5 1 98.62 22.69 0.24 0.01417 0.01733 15 62 1 5 0 153.680 26.21 20.01 22.69 35.81 38.1 1100.00 -1660 -2396 -2609 -1351 956 660 1618 748 -196 -82 1478 733 1114 526 -394 -417 -219 746 457 -24 805 1045 322 525 78 -875 -566 270 1152 1217 1820 1778 -668 -755 441 473 352 -63 -759 -1549 -1255 -1150 -1117 -724 -989 -1100 -764 -548 282 831 568 830 778 496 669 723 316 734 895 1562 1160 1139 494 -915 -296 -90 314 1097 821 177 -390 -512 -633 -721 -364 18 740 1353 98 148 -712 -1540 -1053 -900 -945 -624 -377 -578 -544 -14 225 283 1082 1513 1118 778 800 -350 -559 -361 -482 115 911 115 -774 -356 -720 -305 -187 -109 -371 -376 -159 -83 415 755 717 944 88 -358 -310 -343 -290 197 332 594 1375 1030 422 570 49 -40 84 125 -218 -238 177 -347 -512 -233 -302 -201 -102 -709 -1054 -1100 -543 345 238 628 324 -85 -36 630 328 545 271 -210 -232 -124 428 270 -14 460 595 189 321 50 -538 -350 163 648 672 1036 1069 -403 -447 259 283 223 -43 -578 -1274 -1053 -996 -980 -633 -862 -943 -631 -453 225 660 471 695 681 450 593 651 287 660 794 1386 1075 1084 484 -933 -290 -86 290 987 763 176 -406 -532 -655 -745 -362 17 642 1160 88 135 -700 -1596 -1111 -999 -1082 -736 -453 -715 -669 -17 261 307 1144 1540 1186 837 912 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