Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8b81689d42da5ce324320cfe4b188a7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 104.146,
"b": 35.744,
"c": 71.154,
"alpha": 90.00,
"beta": 97.69,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.510,2.150],
"number_observations": 44105,
"number_observations_unique": 14279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 3618,
"number_observations_unique": 1178,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.132
},
{
"type": "R(meas)",
"value": 1.376
},
{
"type": "R(pim)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [70.510,9.120],
"number_observations": 543,
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
}
]
}