Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25a5300d07ab4a88e93a00f2670639f7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.673,
"b": 96.381,
"c": 57.738,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.870,1.850],
"number_observations": 124029,
"number_observations_unique": 19600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 3821,
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.080
},
{
"type": "R(meas)",
"value": 1.209
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 70.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [28.870,9.040],
"number_observations": 1202,
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 32.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}