Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0aa8c3a469d67650bd980c7c80ca8595",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 95.45,
"b": 63.99,
"c": 63.08,
"alpha": 90.00,
"beta": 127.61,
"gamma": 90.00
},
"wavelengths": [0.99989],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.970,1.800],
"number_observations": 172494,
"number_observations_unique": 25434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 10.720
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 6.782
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 6091,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.299
},
{
"type": "R(meas)",
"value": 1.432
},
{
"type": "I/SigI",
"value": 1.380
},
{
"type": "Completeness",
"value": 52.000
},
{
"type": "Redundancy",
"value": 5.687
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 7215,
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.133
},
{
"type": "R(meas)",
"value": 1.246
},
{
"type": "I/SigI",
"value": 1.710
},
{
"type": "Completeness",
"value": 62.500
},
{
"type": "Redundancy",
"value": 5.786
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 8923,
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.961
},
{
"type": "R(meas)",
"value": 1.053
},
{
"type": "I/SigI",
"value": 2.070
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 6.017
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 11467,
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.891
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "I/SigI",
"value": 2.450
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 6.388
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 12821,
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.765
},
{
"type": "I/SigI",
"value": 3.360
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 7.191
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 12811,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 4.260
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.283
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 12236,
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 5.550
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.253
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 11572,
"number_observations_unique": 1630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 6.890
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.099
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations": 10902,
"number_observations_unique": 1570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.944
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations": 9843,
"number_observations_unique": 1490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 8.910
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.606
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations": 10076,
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 11.010
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.086
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 9875,
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.192
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations": 8967,
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 16.320
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.089
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations": 8267,
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 19.260
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.924
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations": 7031,
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 22.110
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.392
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations": 6810,
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 26.290
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.769
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations": 6310,
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.203
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations": 5306,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 28.610
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.991
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations": 3698,
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.120
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.311
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [49.970,8.050],
"number_observations": 2273,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 30.780
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.725
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}