Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "715f43f8b286d914aa32867e52770341",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.708,
"b": 64.471,
"c": 48.372,
"alpha": 90.00,
"beta": 110.82,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.2140,1.3870],
"number_observations_unique": 54150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.390],
"number_observations": 47139,
"number_observations_unique": 8041,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.578
},
{
"type": "R(meas)",
"value": 2.821
},
{
"type": "R(pim)",
"value": 1.132
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [45.210,4.390],
"number_observations": 10074,
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}