Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f04a3115e08aea994ad9e71b04b3d3bd",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 67.68,
"b": 67.68,
"c": 56.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,2.700],
"number_observations": 20415,
"number_observations_unique": 3871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 2692,
"number_observations_unique": 508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.963
},
{
"type": "R(meas)",
"value": 1.065
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [29.100,8.950],
"number_observations": 548,
"number_observations_unique": 128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}