Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5ee3edee2730c6474964b898889f1771",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 101.270,
"b": 101.270,
"c": 159.692,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.28],
"number_observations": 175267,
"number_observations_unique": 43400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.32,2.28],
"number_observations_unique": 1984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.840
},
{
"type": "R(meas)",
"value": 0.971
},
{
"type": "R(pim)",
"value": 0.470
},
{
"type": "Completeness",
"value": 93.2
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [2.36,2.32],
"number_observations_unique": 2086,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.028
},
{
"type": "R(meas)",
"value": 1.185
},
{
"type": "R(pim)",
"value": 0.573
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.666
}
]
},
{
"resolution_limits": [2.41,2.36],
"number_observations_unique": 2132,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.046
},
{
"type": "R(meas)",
"value": 1.205
},
{
"type": "R(pim)",
"value": 0.584
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.579
}
]
},
{
"resolution_limits": [2.46,2.41],
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.020
},
{
"type": "R(meas)",
"value": 1.173
},
{
"type": "R(pim)",
"value": 0.568
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [2.51,2.46],
"number_observations_unique": 2124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.878
},
{
"type": "R(meas)",
"value": 1.010
},
{
"type": "R(pim)",
"value": 0.489
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [2.57,2.51],
"number_observations_unique": 2170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "R(meas)",
"value": 0.829
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [2.63,2.57],
"number_observations_unique": 2159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.631
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [2.70,2.63],
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "R(meas)",
"value": 0.633
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [2.78,2.70],
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [2.87,2.78],
"number_observations_unique": 2171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [2.98,2.87],
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [3.09,2.98],
"number_observations_unique": 2169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.24,3.09],
"number_observations_unique": 2170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.41,3.24],
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.62,3.41],
"number_observations_unique": 2195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.90,3.62],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.29,3.90],
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.91,4.29],
"number_observations_unique": 2215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.19,4.91],
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.00,6.19],
"number_observations_unique": 2334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}