Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4041c89aaa6fc09a69d3e5ca42a0291e",
"space_group_name": "P 6",
"unit_cell": {
"a": 91.741,
"b": 91.741,
"c": 57.163,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.870,2.900],
"number_observations": 69089,
"number_observations_unique": 6190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,2.900],
"number_observations": 10578,
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.134
},
{
"type": "R(meas)",
"value": 1.191
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [45.870,8.710],
"number_observations": 2539,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 63.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}