Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6671f4bd8ade6fb0383935fb2bc84408",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.789,
"b": 57.867,
"c": 114.552,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.780,1.540],
"number_observations": 329620,
"number_observations_unique": 51778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 24833,
"number_observations_unique": 3779,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.168
},
{
"type": "R(meas)",
"value": 1.270
},
{
"type": "R(pim)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [51.780,6.890],
"number_observations": 4193,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 50.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}