Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab2e2b10ca6a625e882990cce8b0c491",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 66.605,
"b": 66.605,
"c": 93.060,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.75],
"number_observations": 111627,
"number_observations_unique": 6580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [2.80,2.75],
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.3
}
]
},
{
"resolution_limits": [2.85,2.80],
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [2.90,2.85],
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.4
}
]
},
{
"resolution_limits": [2.96,2.90],
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.2
}
]
},
{
"resolution_limits": [3.03,2.96],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.9
}
]
},
{
"resolution_limits": [3.10,3.03],
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.3
}
]
},
{
"resolution_limits": [3.17,3.10],
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.4
}
]
},
{
"resolution_limits": [3.26,3.17],
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.7
}
]
},
{
"resolution_limits": [3.36,3.26],
"number_observations_unique": 601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [3.46,3.36],
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.7
}
]
},
{
"resolution_limits": [3.59,3.46],
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [3.73,3.59],
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.1
}
]
},
{
"resolution_limits": [3.90,3.73],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.6
}
]
},
{
"resolution_limits": [4.11,3.90],
"number_observations_unique": 601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.2
}
]
},
{
"resolution_limits": [4.36,4.11],
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.2
}
]
},
{
"resolution_limits": [4.70,4.36],
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
{
"resolution_limits": [5.17,4.70],
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.6
}
]
},
{
"resolution_limits": [5.92,5.17],
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.1
}
]
},
{
"resolution_limits": [7.46,5.92],
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
{
"resolution_limits": [50.00,7.46],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.3
}
]
}
]
}