Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76d6c1a5d0b68a5394df15440dd878ed",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.15,
"b": 75.17,
"c": 118.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.590,2.300],
"number_observations": 56507,
"number_observations_unique": 12598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 5803,
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [37.590,8.910],
"number_observations": 981,
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(meas)",
"value": 0.013
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 75.500
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}