Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c3b98fb26a6029bc91deaef5f7a542e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.40,
"b": 72.82,
"c": 107.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96110],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.820,2.400],
"number_observations": 123774,
"number_observations_unique": 13006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 10889,
"number_observations_unique": 1329,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.032
},
{
"type": "R(meas)",
"value": 1.102
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [72.820,8.980],
"number_observations": 2485,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}