Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d356e3f225a975d28f8b7706d5a614e5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.569,
"b": 83.478,
"c": 58.953,
"alpha": 90.00,
"beta": 108.37,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.490,1.420],
"number_observations": 427616,
"number_observations_unique": 81296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.420],
"number_observations": 2214,
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.148
},
{
"type": "R(meas)",
"value": 1.595
},
{
"type": "R(pim)",
"value": 1.102
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 30.800
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.364
}
]
},
{
"resolution_limits": [46.490,7.650],
"number_observations": 4165,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 68.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}