Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe94df62a3f5c5ff3b62e64babe0a79b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.882,
"b": 47.262,
"c": 55.476,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.950],
"number_observations": 22967,
"number_observations_unique": 7588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [2.100,2.020],
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "R(pim)",
"value": 0.263
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [2.310,2.200],
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.460,2.310],
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.650,2.460],
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.910,2.650],
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.330,2.910],
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.200,3.330],
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [50.000,4.200],
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 78.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}