Spallation Neutron Source



Data Description (Starting 2017) for POWGENPOWGEN will provide multiple options for data after the upgrade. 2222222222220340341111111111113333333333ABCDEFGHIJKL2222222222220340341111111111113333333333ABCDEFGHIJKL Figure 1: Detector layout for South side of instrument. Calibrated Wavelengths for cycle 2017-A/BFrequency (Hz)WL centerWL minWL maxdmindmaxQminQmax600.7000.1671.2330.08388.20000.766274.9564601.5000.9672.0330.485414.00000.448812.9449602.6652.1323.1981.070122.20000.28305.8714Table of 2? and available d-space in each column of detectors for the calibrated wavelengthsCenter Wavelength??0.71.5?2.665??2? max2? mind mind maxd mind maxd mind maxA (1-5)169.0824142.90600.10050.63290.50231.05481.08741.6692B (6-10)149.5326128.49710.10360.66620.51821.11031.12191.7570C (11-13)131.2671114.55670.10980.71320.54891.18861.18841.8810D (14-16)114.537999.36270.11890.78690.59441.31151.28682.0755E (17-19)99.005185.13350.13150.88700.65751.47831.42352.3394F (20-22)84.721271.68290.14841.02470.74211.70781.60662.7026G (23-25)71.504959.05820.17111.21740.85572.02901.85273.2108H (26-28)59.042447.25810.20291.49701.01472.49492.19693.9482I (29-31)47.400136.07280.24881.93791.24393.22982.69315.1111J (32-34)36.390025.49160.32032.71951.60134.53263.46677.1728K (35-37)26.102515.48010.44284.45512.21417.42514.793611.7502L (38-40)16.59966.12220.692711.23583.463718.72647.499029.6345Starting this cycle we will start supporting GSAS-II. All refinements done by instrument staff will be available for users and will be stored in /SNS/PG3/shared/CALIBRATION/2017_1_2_11A_CAL/GSAS/SNS/PG3/shared/CALIBRATION/2017_1_2_11A_CAL/FP/SNS/PG3/shared/CALIBRATION/2017_1_2_11A_CAL/GSAS-IIFollowing options will be used for autoreduced data which will be stored in the following folder./SNS/IPTS-#/shared/autoreduce Option 1: 2 Histogram/ dataset:Histogram 1: detectors A-H + I2 + J2 + K2 + L2 (32 detectors)Histogram 2: detectors I1 + I3 + J1 + J3 + K1 + K3 + L1 + L3 (8 detectors)This is our standard option which takes into account that some of our out of plane detectors especially in the forward scattering locations have lower resolution than the rest of the detectors. Each data set (for a specified lambda) will have two histograms.GSAS data PG3_run#.gsa Banks 1 and 2 for 0.7 ?, 3 and 4 for 1.5 ?, 5 and 6 for 2.665?Parameter file PG2017AB_HR60_2B.prmGSAS-II: standard gsas files can be used for GSAS-IIParameter files are 2017AB_HR60bn_2B.instprm where n=1-6, 2 datasets for each wavelengthFullprof data PG3_run#-n.dat and IRF file PG2017AB_HR60bn_2B where n=1-6, 2 datasets for each wavelength. Topas same as Fullprof with extension .xye instead of .datOption 2: 1 histogram/dataset: Histogram: detectors A-L all 40 detectors. This option is sufficient for samples which have broader peaks, where the degraded resolution is an acceptable trade-off for the convenience of working with a single data set with better overall counting statistics. GSAS data ALL_PG3_run#.gsa Banks 1, 2 and 3 for the three separate wavelengths. Parameter file PG2017AB_HR60_ALL.prmGSAS-II: standard gsas files can be used for GSAS-IIParameter files are 2017AB_HR60bn_ALL .instprm where n=1-3, 1 datasets for each wavelengthFullprof data ALL_PG3_run#-n.dat and IRF file PG2017AB_HR60bn_ALL where n=1, 2 and 3 for the three separate wavelengths. Topas same as Fullprof with extension .xye instead of .datRaw data for PDF analysis PG3_run#.getn (this data set is the raw time focused data set with no normalization). Option 3: Additional Data:Histogram: detectors A-L in plane (A2, B2, C2……..K2, L2) only (12 detectors)This dataset is provided to look at the higher resolution data for looking at splitting that are subtle and not visible from the other two options.GSAS data IP_PG3_run#.gsa Banks 1, 2 and 3 for the three separate wavelengths. Parameter file PG2017AB_HR60_IP.prmGSAS-II: standard gsas files can be used for GSAS-IIParameter files are 2017AB_HR60bn_IP.instprm where n=1-3, 1 datasets for each wavelengthFullprof data IP_PG3_run#-n.dat and IRF file 2017AB_HR60bn_IP where n=1, 2 and 3 for the three separate wavelengths. Topas same as Fullprof with extension .xye instead of .datFor any other option for grouping detectors please discuss with instrument team members. ................
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