!FORMAT=XDS_ASCII MERGE=FALSE FRIEDEL'S_LAW=TRUE !DATE= 2-May-2005 !GENERATED BY: XSCALE (VERSION December 2003) !FILE NAME OF SCALED DATA SET: aNmN.ahkl !DERIVED FROM INPUT DATA SETS: !NUMBER NAME and FORMAT ! 1 ./s2dist379/XDS_ASCII.HKL XDS_ASCII !SPACE_GROUP_NUMBER= 177 !UNIT_CELL_CONSTANTS= 201.17 201.17 291.03 90.000 90.000 120.000 !NUMBER_OF_ITEMS_IN_EACH_DATA_RECORD= 9 !ITEM_H=1 !ITEM_K=2 !ITEM_L=3 !ITEM_IOBS=4 !ITEM_SIGMA(IOBS)=5 !ITEM_XD=6 !ITEM_YD=7 !ITEM_ZD=8 !ITEM_ISET=9 !END_OF_HEADER 1 -3 4 -1.562E+04 3.455E+04 1989.5 2123.0 156.4 1 2 -3 4 -1.041E+04 1.589E+04 1976.0 2109.7 91.1 1 3 -2 -4 -1.420E+04 1.540E+04 1990.6 1973.7 75.2 1 0 0 -6 1.609E+07 1.131E+06 2061.1 1953.2 4.5 1 4 -3 -1 -3.587E+03 7.690E+03 1958.4 2013.7 167.1 1 4 -2 -2 -3.207E+03 1.182E+04 1973.5 1987.0 197.3 1 0 -1 6 2.339E+06 1.696E+05 2025.5 2145.9 55.5 1 -1 0 6 2.462E+06 1.747E+05 2052.2 2148.9 53.2 1 0 1 -6 2.130E+06 1.573E+05 2074.3 1951.9 60.4 1 1 0 -6 1.964E+06 1.593E+05 2047.7 1948.9 58.0 1 -1 1 -6 2.278E+06 1.663E+05 2087.8 1956.3 5.3 1 3 -4 2 3.788E+03 1.369E+04 1953.2 2080.5 191.8 1 4 -3 -2 -1.043E+04 1.144E+04 1960.2 2000.4 117.3 1 -4 2 3 2.385E+07 1.640E+06 2124.6 2122.2 152.9 1 -1 2 -6 3.614E+06 2.532E+05 2101.0 1954.9 63.3 1 2 -1 -6 3.611E+06 2.796E+05 2021.0 1945.9 56.1 1 1 1 -6 4.154E+06 2.948E+05 2060.8 1942.5 108.4 1 -2 -1 5 5.614E+06 3.920E+05 2054.4 2155.8 162.0 1 -3 2 5 5.485E+06 3.811E+05 2107.3 2139.4 57.0 1 -2 3 -5 5.222E+06 3.618E+05 2125.8 1973.1 79.3 1 3 -1 -5 4.558E+06 3.226E+05 2005.7 1951.3 117.5 1 1 2 -5 5.215E+06 3.666E+05 2072.2 1944.0 172.1 1 -1 -2 5 5.552E+06 3.870E+05 2027.8 2153.5 166.8 1 -3 1 5 5.515E+06 3.831E+05 2094.2 2146.5 111.9 1 -1 3 -5 5.880E+06 4.078E+05 2112.3 1961.7 135.9 1 3 -2 -5 4.586E+06 3.289E+05 1992.5 1958.4 63.1 1 2 1 -5 5.749E+06 4.143E+05 2045.5 1941.8 167.1 1 3 -4 3 4.690E+05 4.067E+04 1951.2 2092.8 129.0 1 4 -3 -3 5.444E+05 5.041E+04 1962.1 1985.9 89.8 1 0 0 -7 1.180E+05 3.972E+04 2063.0 1937.2 4.8 1 0 -3 5 2.505E+06 1.762E+05 2001.1 2151.4 171.6 1 -3 0 5 2.740E+06 1.938E+05 2081.1 2158.1 156.9 1 0 3 -5 2.579E+06 1.818E+05 2098.8 1946.2 177.6 1 3 -3 -5 2.794E+06 2.032E+05 1979.3 1959.7 3.7 1 3 0 -5 2.662E+06 1.882E+05 2018.9 1939.5 162.6 1 -3 3 -5 2.549E+06 1.782E+05 2139.3 1978.5 9.0 1 0 -1 7 9.433E+06 6.524E+05 2023.6 2161.5 47.3 1 -1 0 7 8.898E+06 6.151E+05 2050.3 2164.5 45.6 1 0 1 -7 9.135E+06 6.327E+05 2076.2 1936.3 53.0 1 1 -1 -7 9.517E+06 6.573E+05 2036.4 1934.1 4.4 1 1 0 -7 9.504E+06 6.576E+05 2049.5 1933.3 51.1 1 -1 1 -7 9.185E+06 6.374E+05 2089.7 1940.3 5.6 1 -3 -1 4 1.565E+07 1.079E+06 2069.9 2163.0 216.1 1 -4 3 4 1.651E+07 1.136E+06 2135.9 2127.0 64.6 1 1 -4 4 1.448E+07 1.002E+06 1976.4 2138.3 205.1 1 4 -3 -4 1.594E+07 1.104E+06 1963.9 1970.8 72.9 1 3 1 -4 1.520E+07 1.049E+06 2030.3 1934.4 221.9 1 -4 0 3 4.042E+07 2.784E+06 2098.5 2155.7 237.7 1 4 -4 -3 4.293E+07 2.971E+06 1948.9 1988.5 3.8 1 -5 3 1 1.029E+07 7.086E+05 2155.2 2102.4 226.9 1 5 -3 -1 1.135E+07 7.872E+05 1945.1 1994.8 239.2 1 -2 -1 6 3.195E+07 2.201E+06 2052.6 2168.4 141.7 1 -3 2 6 3.405E+07 2.349E+06 2105.5 2155.0 48.2 1 1 -3 6 3.477E+07 2.396E+06 1985.7 2149.9 109.8 1 -2 3 -6 3.518E+07 2.420E+06 2127.6 1957.8 66.8 1 3 -1 -6 3.527E+07 2.428E+06 2007.5 1937.0 102.4 1 1 2 -6 3.340E+07 2.300E+06 2074.0 1931.6 151.5 1 -1 -2 6 3.042E+07 2.094E+06 2025.9 2166.0 145.7 1 -3 1 6 3.092E+07 2.133E+06 2092.3 2160.8 96.2 1 2 -3 6 3.110E+07 2.144E+06 1972.2 2140.0 59.2 1 -1 3 -6 3.116E+07 2.143E+06 2114.2 1947.9 116.6 1 3 -2 -6 3.258E+07 2.242E+06 1994.3 1942.9 54.7 1 2 1 -6 3.131E+07 2.155E+06 2047.4 1929.2 147.5 1 -5 3 2 3.132E+07 2.153E+06 2153.2 2112.5 178.9 1 5 -2 -2 3.076E+07 2.120E+06 1960.1 1967.4 238.4 1 -5 2 2 3.173E+07 2.184E+06 2140.1 2129.8 229.8 1 5 -3 -2 3.237E+07 2.228E+06 1946.8 1985.0 189.9 1 -2 1 7 8.219E+07 5.660E+06 2076.9 2167.6 43.7 1 -1 2 -7 8.212E+07 5.653E+06 2102.9 1939.3 55.2 1 2 -1 -7 8.326E+07 5.736E+06 2022.9 1930.3 49.6 1 1 1 -7 8.705E+07 6.067E+06 2062.7 1927.9 95.6 1 5 -4 -1 5.594E+07 3.846E+06 1931.7 2011.4 156.8 1 0 -2 7 2.420E+07 1.666E+06 2010.5 2167.1 92.3 1 3 -2 -4 -1.420E+04 1.540E+04 1990.6 1973.7 75.2 1 0 0 -6 1.609E+07 1.131E+06 2061.1 1953.2 4.5 1 4 -3 -1 -3.587E+03 7.690E+03 1958.4 2013.7 167.1 1 4 -2 -2 -3.207E+03 1.182E+04 1973.5 1987.0 197.3 1 0 -1 6 2.339E+06 1.696E+05 2025.5 2145.9 55.5 1 -1 0 6 2.462E+06 1.747E+05 2052.2 2148.9 53.2 1 0 1 -6 2.130E+06 1.573E+05 2074.3 1951.9 60.4 1 1 0 -6 1.964E+06 1.593E+05 2047.7 1948.9 58.0 1 -1 1 -6 2.278E+06 1.663E+05 2087.8 1956.3 5.3 1 3 -4 2 3.788E+03 1.369E+04 1953.2 2080.5 191.8 1 4 -3 -2 -1.043E+04 1.144E+04 1960.2 2000.4 117.3 1 -4 2 3 2.385E+07 1.640E+06 2124.6 2122.2 152.9 1 -1 2 -6 3.614E+06 2.532E+05 2101.0 1954.9 63.3 1 2 -1 -6 3.611E+06 2.796E+05 2021.0 1945.9 56.1 1 1 1 -6 4.154E+06 2.948E+05 2060.8 1942.5 108.4 1 -2 -1 5 5.614E+06 3.920E+05 2054.4 2155.8 162.0 1 -3 2 5 5.485E+06 3.811E+05 2107.3 2139.4 57.0 1 -2 3 -5 5.222E+06 3.618E+05 2125.8 1973.1 79.3 1 3 -1 -5 4.558E+06 3.226E+05 2005.7 1951.3 117.5 1 1 2 -5 5.215E+06 3.666E+05 2072.2 1944.0 172.1 1 -1 -2 5 5.552E+06 3.870E+05 2027.8 2153.5 166.8 1 4 -2 -2 -3.207E+03 1.182E+04 1973.5 1987.0 197.3 1 0 -1 6 2.339E+06 1.696E+05 2025.5 2145.9 55.5 1 -1 0 6 2.462E+06 1.747E+05 2052.2 2148.9 53.2 1 0 1 -6 2.130E+06 1.573E+05 2074.3 1951.9 60.4 1 1 0 -6 1.964E+06 1.593E+05 2047.7 1948.9 58.0 1 -1 1 -6 2.278E+06 1.663E+05 2087.8 1956.3 5.3 1 3 -4 2 3.788E+03 1.369E+04 1953.2 2080.5 191.8 1 4 -3 -2 -1.043E+04 1.144E+04 1960.2 2000.4 117.3 1 -4 2 3 2.385E+07 1.640E+06 2124.6 2122.2 152.9 1 -1 2 -6 3.614E+06 2.532E+05 2101.0 1954.9 63.3 1 2 -1 -6 3.611E+06 2.796E+05 2021.0 1945.9 56.1 1 1 1 -6 4.154E+06 2.948E+05 2060.8 1942.5 108.4 1 -2 -1 5 5.614E+06 3.920E+05 2054.4 2155.8 162.0 1 -3 2 5 5.485E+06 3.811E+05 2107.3 2139.4 57.0 1 -2 3 -5 5.222E+06 3.618E+05 2125.8 1973.1 79.3 1 3 -1 -5 4.558E+06 3.226E+05 2005.7 1951.3 117.5 1 1 2 -5 5.215E+06 3.666E+05 2072.2 1944.0 172.1 1 -1 -2 5 5.552E+06 3.870E+05 2027.8 2153.5 166.8 1 -3 1 5 5.515E+06 3.831E+05 2094.2 2146.5 111.9 1 -1 3 -5 5.880E+06 4.078E+05 2112.3 1961.7 135.9 1 3 -2 -5 4.586E+06 3.289E+05 1992.5 1958.4 63.1 1 2 1 -5 5.749E+06 4.143E+05 2045.5 1941.8 167.1 1 3 -4 3 4.690E+05 4.067E+04 1951.2 2092.8 129.0 1 4 -3 -3 5.444E+05 5.041E+04 1962.1 1985.9 89.8 1 0 0 -7 1.180E+05 3.972E+04 2063.0 1937.2 4.8 1 0 -3 5 2.505E+06 1.762E+05 2001.1 2151.4 171.6 1 -3 0 5 2.740E+06 1.938E+05 2081.1 2158.1 156.9 1 0 3 -5 2.579E+06 1.818E+05 2098.8 1946.2 177.6 1 3 -3 -5 2.794E+06 2.032E+05 1979.3 1959.7 3.7 1 3 0 -5 2.662E+06 1.882E+05 2018.9 1939.5 162.6 1 -3 3 -5 2.549E+06 1.782E+05 2139.3 1978.5 9.0 1 0 -1 7 9.433E+06 6.524E+05 2023.6 2161.5 47.3 1 -1 0 7 8.898E+06 6.151E+05 2050.3 2164.5 45.6 1 0 1 -7 9.135E+06 6.327E+05 2076.2 1936.3 53.0 1 1 -1 -7 9.517E+06 6.573E+05 2036.4 1934.1 4.4 1 1 0 -7 9.504E+06 6.576E+05 2049.5 1933.3 51.1 1 -1 1 -7 9.185E+06 6.374E+05 2089.7 1940.3 5.6 1 -3 -1 4 1.565E+07 1.079E+06 2069.9 2163.0 216.1 1 -4 3 4 1.651E+07 1.136E+06 2135.9 2127.0 64.6 1 1 -4 4 1.448E+07 1.002E+06 1976.4 2138.3 205.1 1 4 -3 -4 1.594E+07 1.104E+06 1963.9 1970.8 72.9 1 3 1 -4 1.520E+07 1.049E+06 2030.3 1934.4 221.9 1 -4 0 3 4.042E+07 2.784E+06 2098.5 2155.7 237.7 1 4 -4 -3 4.293E+07 2.971E+06 1948.9 1988.5 3.8 1 -5 3 1 1.029E+07 7.086E+05 2155.2 2102.4 226.9 1 5 -3 -1 1.135E+07 7.872E+05 1945.1 1994.8 239.2 1 -2 -1 6 3.195E+07 2.201E+06 2052.6 2168.4 141.7 1 -3 2 6 3.405E+07 2.349E+06 2105.5 2155.0 48.2 1 1 -3 6 3.477E+07 2.396E+06 1985.7 2149.9 109.8 1 -2 3 -6 3.518E+07 2.420E+06 2127.6 1957.8 66.8 1 3 -1 -6 3.527E+07 2.428E+06 2007.5 1937.0 102.4 1 1 2 -6 3.340E+07 2.300E+06 2074.0 1931.6 151.5 1 -1 -2 6 3.042E+07 2.094E+06 2025.9 2166.0 145.7 1 -3 1 6 3.092E+07 2.133E+06 2092.3 2160.8 96.2 1 2 -3 6 3.110E+07 2.144E+06 1972.2 2140.0 59.2 1 -1 3 -6 3.116E+07 2.143E+06 2114.2 1947.9 116.6 1 3 -2 -6 3.258E+07 2.242E+06 1994.3 1942.9 54.7 1 2 1 -6 3.131E+07 2.155E+06 2047.4 1929.2 147.5 1 -5 3 2 3.132E+07 2.153E+06 2153.2 2112.5 178.9 1 5 -2 -2 3.076E+07 2.120E+06 1960.1 1967.4 238.4 1 -5 2 2 3.173E+07 2.184E+06 2140.1 2129.8 229.8 1 5 -3 -2 3.237E+07 2.228E+06 1946.8 1985.0 189.9 1 -2 1 7 8.219E+07 5.660E+06 2076.9 2167.6 43.7 1 -1 2 -7 8.212E+07 5.653E+06 2102.9 1939.3 55.2 1 2 -1 -7 8.326E+07 5.736E+06 2022.9 1930.3 49.6 1 1 1 -7 8.705E+07 6.067E+06 2062.7 1927.9 95.6 1 5 -4 -1 5.594E+07 3.846E+06 1931.7 2011.4 156.8 1 0 -2 7 2.420E+07 1.666E+06 2010.5 2167.1 92.3 1 3 -2 -4 -1.420E+04 1.540E+04 1990.6 1973.7 75.2 1 0 0 -6 1.609E+07 1.131E+06 2061.1 1953.2 4.5 1 4 -3 -1 -3.587E+03 7.690E+03 1958.4 2013.7 167.1 1 4 -2 -2 -3.207E+03 1.182E+04 1973.5 1987.0 197.3 1 0 -1 6 2.339E+06 1.696E+05 2025.5 2145.9 55.5 1 -1 0 6 2.462E+06 1.747E+05 2052.2 2148.9 53.2 1 0 1 -6 2.130E+06 1.573E+05 2074.3 1951.9 60.4 1 1 0 -6 1.964E+06 1.593E+05 2047.7 1948.9 58.0 1 -1 1 -6 2.278E+06 1.663E+05 2087.8 1956.3 5.3 1 3 -4 2 3.788E+03 1.369E+04 1953.2 2080.5 191.8 1 4 -3 -2 -1.043E+04 1.144E+04 1960.2 2000.4 117.3 1 -4 2 3 2.385E+07 1.640E+06 2124.6 2122.2 152.9 1 -1 2 -6 3.614E+06 2.532E+05 2101.0 1954.9 63.3 1 2 -1 -6 3.611E+06 2.796E+05 2021.0 1945.9 56.1 1 1 1 -6 4.154E+06 2.948E+05 2060.8 1942.5 108.4 1 -2 -1 5 5.614E+06 3.920E+05 2054.4 2155.8 162.0 1 -3 2 5 5.485E+06 3.811E+05 2107.3 2139.4 57.0 1 -2 3 -5 5.222E+06 3.618E+05 2125.8 1973.1 79.3 1 3 -1 -5 4.558E+06 3.226E+05 2005.7 1951.3 117.5 1 1 2 -5 5.215E+06 3.666E+05 2072.2 1944.0 172.1 1 -1 -2 5 5.552E+06 3.870E+05 2027.8 2153.5 166.8 1 -3 1 5 5.515E+06 3.831E+05 2094.2 2146.5 111.9 1 -1 3 -5 5.880E+06 4.078E+05 2112.3 1961.7 135.9 1 3 -2 -5 4.586E+06 3.289E+05 1992.5 1958.4 63.1 1 2 1 -5 5.749E+06 4.143E+05 2045.5 1941.8 167.1 1 3 -4 3 4.690E+05 4.067E+04 1951.2 2092.8 129.0 1 4 -3 -3 5.444E+05 5.041E+04 1962.1 1985.9 89.8 1 0 0 -7 1.180E+05 3.972E+04 2063.0 1937.2 4.8 1 0 -3 5 2.505E+06 1.762E+05 2001.1 2151.4 171.6 1 -3 0 5 2.740E+06 1.938E+05 2081.1 2158.1 156.9 1 0 3 -5 2.579E+06 1.818E+05 2098.8 1946.2 177.6 1 3 -3 -5 2.794E+06 2.032E+05 1979.3 1959.7 3.7 1 3 0 -5 2.662E+06 1.882E+05 2018.9 1939.5 162.6 1 -3 3 -5 2.549E+06 1.782E+05 2139.3 1978.5 9.0 1 0 -1 7 9.433E+06 6.524E+05 2023.6 2161.5 47.3 1 -1 0 7 8.898E+06 6.151E+05 2050.3 2164.5 45.6 1 0 1 -7 9.135E+06 6.327E+05 2076.2 1936.3 53.0 1 1 -1 -7 9.517E+06 6.573E+05 2036.4 1934.1 4.4 1 1 0 -7 9.504E+06 6.576E+05 2049.5 1933.3 51.1 1 -1 1 -7 9.185E+06 6.374E+05 2089.7 1940.3 5.6 1 -3 -1 4 1.565E+07 1.079E+06 2069.9 2163.0 216.1 1 -4 3 4 1.651E+07 1.136E+06 2135.9 2127.0 64.6 1 1 -4 4 1.448E+07 1.002E+06 1976.4 2138.3 205.1 1 4 -3 -4 1.594E+07 1.104E+06 1963.9 1970.8 72.9 1 3 1 -4 1.520E+07 1.049E+06 2030.3 1934.4 221.9 1 -4 0 3 4.042E+07 2.784E+06 2098.5 2155.7 237.7 1 4 -4 -3 4.293E+07 2.971E+06 1948.9 1988.5 3.8 1 -5 3 1 1.029E+07 7.086E+05 2155.2 2102.4 226.9 1 5 -3 -1 1.135E+07 7.872E+05 1945.1 1994.8 239.2 1 -2 -1 6 3.195E+07 2.201E+06 2052.6 2168.4 141.7 1 -3 2 6 3.405E+07 2.349E+06 2105.5 2155.0 48.2 1 1 -3 6 3.477E+07 2.396E+06 1985.7 2149.9 109.8 1 -2 3 -6 3.518E+07 2.420E+06 2127.6 1957.8 66.8 1 3 -1 -6 3.527E+07 2.428E+06 2007.5 1937.0 102.4 1 1 2 -6 3.340E+07 2.300E+06 2074.0 1931.6 151.5 1 -1 -2 6 3.042E+07 2.094E+06 2025.9 2166.0 145.7 1 -3 1 6 3.092E+07 2.133E+06 2092.3 2160.8 96.2 1 2 -3 6 3.110E+07 2.144E+06 1972.2 2140.0 59.2 1 -1 3 -6 3.116E+07 2.143E+06 2114.2 1947.9 116.6 1 3 -2 -6 3.258E+07 2.242E+06 1994.3 1942.9 54.7 1 2 1 -6 3.131E+07 2.155E+06 2047.4 1929.2 147.5 1 -5 3 2 3.132E+07 2.153E+06 2153.2 2112.5 178.9 1 5 -2 -2 3.076E+07 2.120E+06 1960.1 1967.4 238.4 1 -5 2 2 3.173E+07 2.184E+06 2140.1 2129.8 229.8 1 5 -3 -2 3.237E+07 2.228E+06 1946.8 1985.0 189.9 1 -2 1 7 8.219E+07 5.660E+06 2076.9 2167.6 43.7 1 -1 2 -7 8.212E+07 5.653E+06 2102.9 1939.3 55.2 1 2 -1 -7 8.326E+07 5.736E+06 2022.9 1930.3 49.6 1 1 1 -7 8.705E+07 6.067E+06 2062.7 1927.9 95.6 1 5 -4 -1 5.594E+07 3.846E+06 1931.7 2011.4 156.8 1 0 -2 7 2.420E+07 1.666E+06 2010.5 2167.1 92.3 1 1 -3 6 3.477E+07 2.396E+06 1985.7 2149.9 109.8 1 -2 3 -6 3.518E+07 2.420E+06 2127.6 1957.8 66.8 1 3 -1 -6 3.527E+07 2.428E+06 2007.5 1937.0 102.4 1 1 2 -6 3.340E+07 2.300E+06 2074.0 1931.6 151.5 1 -1 -2 6 3.042E+07 2.094E+06 2025.9 2166.0 145.7 1 -3 1 6 3.092E+07 2.133E+06 2092.3 2160.8 96.2 1 2 -3 6 3.110E+07 2.144E+06 1972.2 2140.0 59.2 1 -1 3 -6 3.116E+07 2.143E+06 2114.2 1947.9 116.6 1 3 -2 -6 3.258E+07 2.242E+06 1994.3 1942.9 54.7 1 2 1 -6 3.131E+07 2.155E+06 2047.4 1929.2 147.5 1 -5 3 2 3.132E+07 2.153E+06 2153.2 2112.5 178.9 1 5 -2 -2 3.076E+07 2.120E+06 1960.1 1967.4 238.4 1 -5 2 2 3.173E+07 2.184E+06 2140.1 2129.8 229.8 1 5 -3 -2 3.237E+07 2.228E+06 1946.8 1985.0 189.9 1 -2 1 7 8.219E+07 5.660E+06 2076.9 2167.6 43.7 1 -1 2 -7 8.212E+07 5.653E+06 2102.9 1939.3 55.2 1 2 -1 -7 8.326E+07 5.736E+06 2022.9 1930.3 49.6 1 1 1 -7 8.705E+07 6.067E+06 2062.7 1927.9 95.6 1 5 -4 -1 5.594E+07 3.846E+06 1931.7 2011.4 156.8 1 0 -2 7 2.420E+07 1.666E+06 2010.5 2167.1 92.3 1