Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8a97b79b97677357e3a55fc2a504080",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 151.029,
"b": 61.946,
"c": 142.564,
"alpha": 90.00,
"beta": 118.31,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.810,1.570],
"number_observations": 477220,
"number_observations_unique": 161081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.570],
"number_observations": 21346,
"number_observations_unique": 7472,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.925
},
{
"type": "R(meas)",
"value": 3.608
},
{
"type": "R(pim)",
"value": 2.085
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.132
}
]
},
{
"resolution_limits": [47.810,8.590],
"number_observations": 3034,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 35.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}