Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db9ab1471c154b490f188d1963a596ad",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.131,
"b": 64.025,
"c": 74.594,
"alpha": 90.00,
"beta": 125.87,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.860,2.080],
"number_observations": 110990,
"number_observations_unique": 26853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.080],
"number_observations": 8271,
"number_observations_unique": 2012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.784
},
{
"type": "R(meas)",
"value": 0.898
},
{
"type": "R(pim)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [47.860,9.070],
"number_observations": 1254,
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}