Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f880bca7f658e6bad98b2e19bdd2d9de",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 85.02,
"b": 114.22,
"c": 154.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.980,2.400],
"number_observations_unique": 29788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 17970,
"number_observations_unique": 3097,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.005
},
{
"type": "R(meas)",
"value": 1.104
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [45.940,8.980],
"number_observations": 3110,
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}