Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5408e101782e0f684cfffa8562426b06",
"space_group_name": "P 61",
"unit_cell": {
"a": 115.41,
"b": 115.41,
"c": 56.99,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.850,2.840],
"number_observations": 106009,
"number_observations_unique": 19937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 8.550
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.317
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.010,2.840],
"number_observations": 16983,
"number_observations_unique": 3162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.897
},
{
"type": "R(meas)",
"value": 0.994
},
{
"type": "I/SigI",
"value": 1.390
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.371
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [3.220,3.010],
"number_observations": 16072,
"number_observations_unique": 3020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 2.480
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.322
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [3.470,3.220],
"number_observations": 14057,
"number_observations_unique": 2813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 4.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.997
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 14060,
"number_observations_unique": 2582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 7.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.445
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.240,3.800],
"number_observations": 13018,
"number_observations_unique": 2331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 11.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.585
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.870,4.240],
"number_observations": 11244,
"number_observations_unique": 2075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.419
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.930,4.870],
"number_observations": 9172,
"number_observations_unique": 1765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.197
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [8.210,5.930],
"number_observations": 6918,
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.013
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [28.850,8.210],
"number_observations": 4485,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 23.120
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.544
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}