Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc6584d973e99a2106573825d78ff704",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.866,
"b": 96.651,
"c": 57.890,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.940,2.000],
"number_observations": 98679,
"number_observations_unique": 15691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.000],
"number_observations": 5963,
"number_observations_unique": 1123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 0.868
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [28.940,8.720],
"number_observations": 1361,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}