Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b2daac59879f8ed5af216244f53b6626",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.320,
"b": 96.714,
"c": 57.871,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.9350,1.770],
"number_observations": 148603,
"number_observations_unique": 22571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 7445,
"number_observations_unique": 1223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.961
},
{
"type": "R(meas)",
"value": 1.047
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [28.940,8.860],
"number_observations": 1315,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 61.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}