Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f7e261a7f8ecb117b3f7f94f8d1be8a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.205,
"b": 96.383,
"c": 57.967,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.980,1.770],
"number_observations": 144021,
"number_observations_unique": 22553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 3823,
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 70.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [28.980,9.050],
"number_observations": 1235,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}