Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1821b2eff687cac6ec3b2a3bce500cba",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.02,
"b": 82.57,
"c": 106.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [16.270,1.860],
"number_observations": 174456,
"number_observations_unique": 39460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 6757,
"number_observations_unique": 1778,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.112
},
{
"type": "R(pim)",
"value": 0.611
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 65.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
},
{
"resolution_limits": [16.270,8.920],
"number_observations": 1522,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}