Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25780c833e43d6422ac605c749ef37e4",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 113.65,
"b": 113.65,
"c": 88.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.99,1.72],
"number_observations_unique": 136475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 10.27
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 11
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.82,1.72],
"number_observations_unique": 21462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.82
},
{
"type": "R(meas)",
"value": 0.9059999999999999
},
{
"type": "CC(1/2)",
"value": 0.74
}
]
},
{
"resolution_limits": [1.95,1.82],
"number_observations_unique": 20859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5329999999999999
},
{
"type": "R(meas)",
"value": 0.5870000000000001
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [2.1,1.95],
"number_observations_unique": 19413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.34600000000000003
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.3,2.10],
"number_observations_unique": 17838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.20600000000000002
},
{
"type": "R(meas)",
"value": 0.22699999999999998
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.57,2.30],
"number_observations_unique": 16195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.16
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.97,2.57],
"number_observations_unique": 14167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.11199999999999999
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.64,2.97],
"number_observations_unique": 12069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.13,3.64],
"number_observations_unique": 9321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.99,5.13],
"number_observations_unique": 5151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}