Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18886dafc0d04027d7ede78cb1480cd8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.068,
"b": 57.369,
"c": 112.158,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.680,2.520],
"number_observations": 76824,
"number_observations_unique": 11832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.520],
"number_observations": 5565,
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.131
},
{
"type": "R(meas)",
"value": 1.225
},
{
"type": "R(pim)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [28.680,11.290],
"number_observations": 858,
"number_observations_unique": 156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}