Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "576f875d19b9c97fa1a490e6c58a4172",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.942,
"b": 27.323,
"c": 56.450,
"alpha": 90.00,
"beta": 100.14,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.780,1.380],
"number_observations": 155026,
"number_observations_unique": 25706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations": 4707,
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.467
},
{
"type": "R(meas)",
"value": 1.740
},
{
"type": "R(pim)",
"value": 0.897
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [27.780,7.560],
"number_observations": 984,
"number_observations_unique": 179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 59.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}