Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "611e2054ca5de2121c5893a2ea8bcc13",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.958,
"b": 105.009,
"c": 120.671,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96550],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.140,1.500],
"number_observations": 894285,
"number_observations_unique": 178041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 45993,
"number_observations_unique": 8774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.744
},
{
"type": "R(pim)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [48.140,8.220],
"number_observations": 5549,
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}