Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1f8a1510e6244f2faec635ba3734eb1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 76.380,
"b": 79.981,
"c": 179.367,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.20],
"number_observations": 447004,
"number_observations_unique": 54987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.28,2.20],
"number_observations_unique": 5233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [2.37,2.28],
"number_observations_unique": 5301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [2.48,2.37],
"number_observations_unique": 5350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [2.61,2.48],
"number_observations_unique": 5413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.77,2.61],
"number_observations_unique": 5472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.99,2.77],
"number_observations_unique": 5522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.29,2.99],
"number_observations_unique": 5548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 9.5
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.76,3.29],
"number_observations_unique": 5620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.74,3.76],
"number_observations_unique": 5674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,4.74],
"number_observations_unique": 5854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}