Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8bad5cfe18765cf2ad5938ac44077a4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.462,
"b": 38.958,
"c": 90.016,
"alpha": 90.00,
"beta": 103.91,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.380,1.850],
"number_observations": 200390,
"number_observations_unique": 31051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 13620,
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.149
},
{
"type": "R(meas)",
"value": 1.246
},
{
"type": "R(pim)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [87.380,9.060],
"number_observations": 1826,
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}