Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "52691f08d00c949eb161f1cae88f7557",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.87,
"b": 64.92,
"c": 83.99,
"alpha": 70.58,
"beta": 72.43,
"gamma": 88.01
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.990,2.700],
"number_observations": 97465,
"number_observations_unique": 28569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 13432,
"number_observations_unique": 3783,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.016
},
{
"type": "R(meas)",
"value": 1.200
},
{
"type": "R(pim)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [57.990,8.950],
"number_observations": 3030,
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}