Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3a500937d33bd70304b76f9409e6276",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.167,
"b": 84.834,
"c": 88.284,
"alpha": 90.00,
"beta": 130.95,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.660,1.430],
"number_observations": 734226,
"number_observations_unique": 114287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.450],
"number_observations": 45690,
"number_observations_unique": 11064,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.694
},
{
"type": "R(meas)",
"value": 1.940
},
{
"type": "R(pim)",
"value": 0.922
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 61.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [66.660,4.600],
"number_observations": 27372,
"number_observations_unique": 4046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 38.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}