Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "efc84a0f3aa6896950f2393df5f12665",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 61.551,
"b": 61.551,
"c": 82.196,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.890,2.160],
"number_observations_unique": 15758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 27.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.160],
"number_observations": 19292,
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.797
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 27.000
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [48.890,8.910],
"number_observations": 3293,
"number_observations_unique": 164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}