Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6655f827abbe51d7e7a2c40fc21ee883",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 123.031,
"b": 55.947,
"c": 133.156,
"alpha": 90.00,
"beta": 98.27,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.460,2.280],
"number_observations_unique": 80208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.280],
"number_observations": 12565,
"number_observations_unique": 4394,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.629
},
{
"type": "R(meas)",
"value": 1.984
},
{
"type": "R(pim)",
"value": 1.116
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.338
}
]
},
{
"resolution_limits": [48.420,11.640],
"number_observations": 1637,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}