Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ef511accba98ff0eb37549a72d521db",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 45.420,
"b": 53.430,
"c": 112.031,
"alpha": 90.00,
"beta": 101.37,
"gamma": 90.00
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.250],
"number_observations_unique": 11614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 3090,
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.865
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [48.050,9.000],
"number_observations": 541,
"number_observations_unique": 191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}