Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d0a139809ef594559620b3b082f5c9f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.481,
"b": 35.153,
"c": 64.016,
"alpha": 90.00,
"beta": 105.71,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.740,1.450],
"number_observations": 129945,
"number_observations_unique": 35535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 4620,
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.095
},
{
"type": "R(meas)",
"value": 1.333
},
{
"type": "R(pim)",
"value": 0.744
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.414
}
]
},
{
"resolution_limits": [44.740,7.930],
"number_observations": 858,
"number_observations_unique": 242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}