Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "67f02bfe74c0c6da5e1aafe86c67f9e5",
"space_group_name": "P 43",
"unit_cell": {
"a": 47.366,
"b": 47.366,
"c": 257.683,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97929],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations": 113566,
"number_observations_unique": 22563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.862
},
{
"type": "R(meas)",
"value": 0.983
},
{
"type": "R(pim)",
"value": 0.465
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
},
{
"resolution_limits": [2.490,2.440],
"number_observations_unique": 1146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.798
},
{
"type": "R(meas)",
"value": 0.898
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [2.530,2.490],
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.867
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.764
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 1117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.707
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 1111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.690
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.770,2.700],
"number_observations_unique": 1136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [2.850,2.770],
"number_observations_unique": 1127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [2.930,2.850],
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [3.020,2.930],
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [3.130,3.020],
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [3.260,3.130],
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.410,3.260],
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [3.580,3.410],
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.810,3.580],
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [4.100,3.810],
"number_observations_unique": 1129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [4.520,4.100],
"number_observations_unique": 1135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [5.170,4.520],
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [6.510,5.170],
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [50.000,6.510],
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}