Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1bec481ce68b6ae63467889fa1c09959",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.479,
"b": 48.036,
"c": 106.418,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.210,1.900],
"number_observations": 168729,
"number_observations_unique": 13776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 11206,
"number_observations_unique": 873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.691
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [53.210,9.110],
"number_observations": 1492,
"number_observations_unique": 164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}