Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "912d970a4ee4f4def92aba5edd7c0c04",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.31,
"b": 44.43,
"c": 76.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.560,1.920],
"number_observations": 114218,
"number_observations_unique": 10317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.920],
"number_observations": 5571,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.384
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [33.560,9.000],
"number_observations": 1314,
"number_observations_unique": 127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}