Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b668d3e3f58d6f1a089da31cf6708a6a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.360,
"b": 71.360,
"c": 150.329,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.380,1.520],
"number_observations": 779455,
"number_observations_unique": 60590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 33928,
"number_observations_unique": 2856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.963
},
{
"type": "R(meas)",
"value": 1.005
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [29.380,8.320],
"number_observations": 4858,
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 73.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}