Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c23d98984256875631aaf8993ba3563",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.10,
"b": 57.13,
"c": 114.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.730,1.680],
"number_observations": 262475,
"number_observations_unique": 39906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 19046,
"number_observations_unique": 2899,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.501
},
{
"type": "R(meas)",
"value": 1.629
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.463
}
]
},
{
"resolution_limits": [23.730,7.510],
"number_observations": 3188,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}