Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02f19e036f3c7ae06005bf0d9dd37743",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.01,
"b": 75.43,
"c": 91.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.010,2.000],
"number_observations": 164877,
"number_observations_unique": 30218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 10187,
"number_observations_unique": 2005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "R(pim)",
"value": 0.254
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [65.010,8.940],
"number_observations": 2363,
"number_observations_unique": 423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}