Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fa37d8be6837e08d150fc6840b33c09",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.756,
"b": 96.541,
"c": 57.854,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.940,1.780],
"number_observations": 139341,
"number_observations_unique": 21809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 5165,
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.781
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [29.940,8.910],
"number_observations": 1285,
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 38.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}