Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b4db97c34ce154bfe4232592a706d7c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 121.574,
"b": 55.704,
"c": 112.045,
"alpha": 90.00,
"beta": 96.58,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [111.310,2.010],
"number_observations": 329856,
"number_observations_unique": 49853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.010],
"number_observations": 49393,
"number_observations_unique": 7221,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.008
},
{
"type": "R(meas)",
"value": 1.091
},
{
"type": "R(pim)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [111.310,6.360],
"number_observations": 9911,
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}