Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c1df6b63df0b181e39768be88506559",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.621,
"b": 45.364,
"c": 83.305,
"alpha": 90.00,
"beta": 101.99,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.470,1.940],
"number_observations": 108876,
"number_observations_unique": 31540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 7818,
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.078
},
{
"type": "R(meas)",
"value": 1.275
},
{
"type": "R(pim)",
"value": 0.673
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
},
{
"resolution_limits": [28.470,8.680],
"number_observations": 1309,
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}