Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "254b428a2d3960b3f86a9e567ca1f0e7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.259,
"b": 97.044,
"c": 58.022,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,2.010],
"number_observations": 92681,
"number_observations_unique": 15633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 4761,
"number_observations_unique": 980,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.270
},
{
"type": "R(meas)",
"value": 1.412
},
{
"type": "R(pim)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [29.010,8.980],
"number_observations": 1281,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}