Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c981f8f77b38e690f686c80235f8a55e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.595,
"b": 65.130,
"c": 84.191,
"alpha": 90.00,
"beta": 93.21,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.740,1.940],
"number_observations": 178722,
"number_observations_unique": 55118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 11659,
"number_observations_unique": 4031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.913
},
{
"type": "R(meas)",
"value": 1.124
},
{
"type": "R(pim)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.589
}
]
},
{
"resolution_limits": [54.740,8.680],
"number_observations": 2155,
"number_observations_unique": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}