Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75d0e5c49374b3c98ed4d43e53d3c74d",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 64.603,
"b": 119.447,
"c": 66.136,
"alpha": 90.00,
"beta": 92.56,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.050,2.150],
"number_observations": 97263,
"number_observations_unique": 26213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 5496,
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(pim)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 76.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [37.050,8.860],
"number_observations": 1285,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 57.300
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}