Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5a5a00137b1b8213634ac1959e02bd3",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.049,
"b": 70.052,
"c": 85.190,
"alpha": 102.84,
"beta": 95.92,
"gamma": 112.44
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.130,2.230],
"number_observations": 189431,
"number_observations_unique": 56482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.230],
"number_observations": 16127,
"number_observations_unique": 4821,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.662
},
{
"type": "R(meas)",
"value": 1.988
},
{
"type": "R(pim)",
"value": 1.073
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
},
{
"resolution_limits": [81.130,9.190],
"number_observations": 3048,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}