Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59c448806838834aac4af0271a83e56d",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.160,
"b": 70.103,
"c": 85.253,
"alpha": 102.75,
"beta": 95.82,
"gamma": 112.48
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.310,1.980],
"number_observations": 272203,
"number_observations_unique": 80387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.980],
"number_observations": 13626,
"number_observations_unique": 4272,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.631
},
{
"type": "R(meas)",
"value": 1.976
},
{
"type": "R(pim)",
"value": 1.094
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.368
}
]
},
{
"resolution_limits": [81.310,10.110],
"number_observations": 2378,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 31.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}