Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "870792cbe718d11e4f5b0b08f0b2941f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 209.883,
"b": 71.289,
"c": 69.157,
"alpha": 90.00,
"beta": 101.15,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.4640,2.100],
"number_observations_unique": 58465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 30127,
"number_observations_unique": 4519,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.806
},
{
"type": "R(meas)",
"value": 1.957
},
{
"type": "R(pim)",
"value": 0.747
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.535
}
]
},
{
"resolution_limits": [45.460,9.150],
"number_observations": 4858,
"number_observations_unique": 748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}