Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca73c7149f2ab7fa66f50fec709a9619",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.562,
"b": 57.529,
"c": 49.371,
"alpha": 90.00,
"beta": 104.98,
"gamma": 90.00
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.120,1.700],
"number_observations": 72250,
"number_observations_unique": 24535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 2502,
"number_observations_unique": 1177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "R(meas)",
"value": 0.834
},
{
"type": "R(pim)",
"value": 0.534
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [41.120,9.000],
"number_observations": 513,
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}