Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7da5e69bd20045038d170bdb9109bb49",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.775,
"b": 40.900,
"c": 74.221,
"alpha": 90.000,
"beta": 116.196,
"gamma": 90.000
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.500,1.280],
"number_observations": 185643,
"number_observations_unique": 49297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.280],
"number_observations": 864,
"number_observations_unique": 703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.659
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 25.100
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [41.500,7.030],
"number_observations": 1558,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}