Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3816297fe4fdd49507d7ef2460f5dcb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.91,
"b": 92.07,
"c": 128.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.630,3.100],
"number_observations": 257586,
"number_observations_unique": 18604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "R(meas)",
"value": 0.533
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 44221,
"number_observations_unique": 3306,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.533
},
{
"type": "R(meas)",
"value": 3.672
},
{
"type": "R(pim)",
"value": 0.982
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [52.630,8.770],
"number_observations": 11723,
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}