Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5193a2e643a81cd4829a04033ac5a2d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.878,
"b": 80.073,
"c": 87.793,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97928],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.581,2.389],
"number_observations_unique": 19459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.390],
"number_observations": 8159,
"number_observations_unique": 1323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.923
},
{
"type": "R(meas)",
"value": 1.007
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.733
}
]
},
{
"resolution_limits": [29.580,10.690],
"number_observations": 1174,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 29.100
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}