Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f811ffd4563ea209bbce8dcdafeb76e6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.76,
"b": 27.35,
"c": 55.72,
"alpha": 90.00,
"beta": 100.02,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.870,1.350],
"number_observations": 76596,
"number_observations_unique": 25855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.350],
"number_observations": 3766,
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "R(meas)",
"value": 1.001
},
{
"type": "R(pim)",
"value": 0.639
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
},
{
"resolution_limits": [54.870,6.040],
"number_observations": 1008,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}