Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "67fd4e070ebda6b88051b075e9abeadb",
"space_group_name": "P 3",
"unit_cell": {
"a": 137.800,
"b": 137.800,
"c": 49.545,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,2.99],
"number_observations_unique": 21105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 9.99
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 7.85
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.17,2.99],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.742
},
{
"type": "R(meas)",
"value": 0.975
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [3.39,3.17],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "R(meas)",
"value": 0.597
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [3.66,3.39],
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [4,3.66],
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [4.46,4],
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "CC(1/2)",
"value": 0.96
}
]
},
{
"resolution_limits": [5.13,4.46],
"number_observations_unique": 879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [6.23,5.13],
"number_observations_unique": 713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [8.6,6.23],
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [30,8.6],
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}