Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d57793a62db186a53ed472652a465345",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.952,
"b": 75.775,
"c": 89.919,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.915,1.510],
"number_observations_unique": 64117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.510],
"number_observations": 30507,
"number_observations_unique": 3233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [34.910,8.270],
"number_observations": 2818,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 58.400
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}