Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9268d06c9634e3468f0d4f08bff6108f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.846,
"b": 27.385,
"c": 38.245,
"alpha": 90.00,
"beta": 96.08,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.950,1.110],
"number_observations": 107305,
"number_observations_unique": 40871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.110],
"number_observations": 3369,
"number_observations_unique": 2840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 42.000
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [29.950,3.490],
"number_observations": 4898,
"number_observations_unique": 1526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}