Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec89c4026c6707f9093c2790eea2f96f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.522,
"b": 82.031,
"c": 93.961,
"alpha": 90.00,
"beta": 108.83,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.770,1.36],
"number_observations": 935564,
"number_observations_unique": 127211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 13.740
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.989
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.44,1.36],
"number_observations": 146237,
"number_observations_unique": 22019,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.366
},
{
"type": "R(meas)",
"value": 2.552
},
{
"type": "I/SigI",
"value": 0.40
},
{
"type": "Completeness",
"value": 0.957
},
{
"type": "Redundancy",
"value": 6.64
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [1.54,1.44],
"number_observations": 142092,
"number_observations_unique": 20742,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.186
},
{
"type": "R(meas)",
"value": 1.279
},
{
"type": "I/SigI",
"value": 1.04
},
{
"type": "Completeness",
"value": 0.971
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [1.66,1.54],
"number_observations": 133346,
"number_observations_unique": 19235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 2.29
},
{
"type": "Completeness",
"value": 0.976
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [1.82,1.66],
"number_observations": 121865,
"number_observations_unique": 17752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 4.87
},
{
"type": "Completeness",
"value": 0.982
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.04,1.82],
"number_observations": 109583,
"number_observations_unique": 16078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 11.11
},
{
"type": "Completeness",
"value": 0.986
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.35,2.04],
"number_observations": 97443,
"number_observations_unique": 14234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 21.95
},
{
"type": "Completeness",
"value": 0.990
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.88,2.35],
"number_observations": 84092,
"number_observations_unique": 12027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 34.65
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.06,2.88],
"number_observations": 64624,
"number_observations_unique": 9346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 50.85
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.06],
"number_observations": 36282,
"number_observations_unique": 5244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 59.11
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 6.92
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}