Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4eb3382481bd56727bbec33d6f7448b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.64,
"b": 45.36,
"c": 83.34,
"alpha": 90.00,
"beta": 102.31,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.630,2.020],
"number_observations": 103042,
"number_observations_unique": 30275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"number_observations": 7214,
"number_observations_unique": 2198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.631
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "R(pim)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [42.630,9.030],
"number_observations": 1291,
"number_observations_unique": 381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 56.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}