Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6796d3b5950267fcc66142dc75da62ba",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.38,
"b": 72.25,
"c": 114.84,
"alpha": 90.00,
"beta": 102.98,
"gamma": 90.00
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.15,2.980],
"number_observations_unique": 20168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [3.160,2.980],
"number_observations": 9519,
"number_observations_unique": 3295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.691
},
{
"type": "R(meas)",
"value": 0.838
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
{
"resolution_limits": [60.080,8.940],
"number_observations": 2105,
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}