Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cda70c06ca9c238632fb8cff59acc5f2",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 127.428,
"b": 127.428,
"c": 71.992,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.76,2.300],
"number_observations_unique": 30148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 12381,
"number_observations_unique": 2915,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.176
},
{
"type": "R(meas)",
"value": 1.342
},
{
"type": "R(pim)",
"value": 0.627
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
},
{
"resolution_limits": [47.710,8.910],
"number_observations": 2324,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
}
]
}