Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "585db0056cf03f32269bf8dabe2568cc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.311,
"b": 49.606,
"c": 115.628,
"alpha": 90.00,
"beta": 94.87,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.150,1.950],
"number_observations": 231773,
"number_observations_unique": 66452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 14945,
"number_observations_unique": 4179,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.523
},
{
"type": "R(meas)",
"value": 1.793
},
{
"type": "R(pim)",
"value": 0.939
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.310
}
]
},
{
"resolution_limits": [115.150,9.140],
"number_observations": 2194,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 46.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
}
]
}