Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32b2798a39fa49010f02ee0910756cb7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.560,
"b": 105.838,
"c": 73.555,
"alpha": 90.00,
"beta": 118.87,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.845],
"number_observations_unique": 81648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.86],
"number_observations_unique": 8170,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.109
},
{
"type": "R(meas)",
"value": 1.314
},
{
"type": "R(pim)",
"value": 0.698
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [2.00,1.93],
"number_observations_unique": 8212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.715
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.452
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [2.09,2.00],
"number_observations_unique": 8228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [2.21,2.09],
"number_observations_unique": 8234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [2.34,2.21],
"number_observations_unique": 8231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [2.52,2.34],
"number_observations_unique": 8212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.78,2.52],
"number_observations_unique": 8239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.18,2.78],
"number_observations_unique": 8250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [4.01,3.18],
"number_observations_unique": 8200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [50.00,4.01],
"number_observations_unique": 7672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 91.5
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}