Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca6330f827294fb57747bf98f08f4598",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 95.95,
"b": 95.95,
"c": 95.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.910,1.650],
"number_observations_unique": 35458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 33403,
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.015
},
{
"type": "R(meas)",
"value": 1.043
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [42.910,8.900],
"number_observations": 4125,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}