Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94d0e30accf3afb52c70c6afc168c104",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 76.201,
"b": 76.201,
"c": 100.650,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.880,1.300],
"number_observations": 1637590,
"number_observations_unique": 73240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 22.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 28710,
"number_observations_unique": 3424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.873
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [53.880,7.120],
"number_observations": 11862,
"number_observations_unique": 556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 57.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}