Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80916f6b3f9bf17bfab8010c012db1ad",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 49.028,
"b": 49.028,
"c": 32.618,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92530],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.460,1.400],
"number_observations": 27514,
"number_observations_unique": 8997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 1143,
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
},
{
"resolution_limits": [42.460,7.670],
"number_observations": 191,
"number_observations_unique": 70,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 38.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
}
]
}