Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8f1c07c589de071f8d576a785989523",
"space_group_name": "P 32",
"unit_cell": {
"a": 68.345,
"b": 68.345,
"c": 58.400,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,3.00],
"number_observations": 53271,
"number_observations_unique": 5544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 91.1
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
"refln_shells": [
{
"resolution_limits": [3.05,3.00],
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.144
},
{
"type": "R(meas)",
"value": 1.219
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "Completeness",
"value": 59.8
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [3.11,3.05],
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.461
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "Completeness",
"value": 63.3
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.17,3.11],
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 69.2
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.23,3.17],
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 75.2
},
{
"type": "Redundancy",
"value": 8.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.30,3.23],
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 83.2
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.38,3.30],
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 89.0
},
{
"type": "Redundancy",
"value": 8.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.46,3.38],
"number_observations_unique": 291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 90.4
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.56,3.46],
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.66,3.56],
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.78,3.66],
"number_observations_unique": 324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 9.5
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.91,3.78],
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 8.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.07,3.91],
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.26,4.07],
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.48,4.26],
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.76,4.48],
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.13,4.76],
"number_observations_unique": 304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.64,5.13],
"number_observations_unique": 310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.46,5.64],
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.13,6.46],
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,8.13],
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}