Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dacd6387050ec85fb45f69f5493d37bc",
"space_group_name": "P 63",
"unit_cell": {
"a": 65.565,
"b": 65.565,
"c": 219.363,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.08000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.85,2.84],
"number_observations_unique": 12567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 8.81
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.01,2.84],
"number_observations_unique": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.1131
},
{
"type": "R(meas)",
"value": 1.1194
},
{
"type": "I/SigI",
"value": 2.01
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [3.22,3.01],
"number_observations_unique": 1900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.879
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "I/SigI",
"value": 3.01
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [3.48,3.22],
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 4.17
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.80,3.48],
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 6.79
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [4.25,3.80],
"number_observations_unique": 1468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 11.15
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 10.9
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.98,4.90],
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 14.42
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [8.39,5.98],
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 18.69
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.85,8.39],
"number_observations_unique": 501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 28.11
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 10.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}