Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad9efef55f0794036c59e59f7dbd73ee",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.71,
"b": 57.53,
"c": 114.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.710,1.800],
"number_observations": 203603,
"number_observations_unique": 32316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 13909,
"number_observations_unique": 2333,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.986
},
{
"type": "R(meas)",
"value": 2.175
},
{
"type": "R(pim)",
"value": 0.874
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [51.710,8.050],
"number_observations": 2563,
"number_observations_unique": 434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}