Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9bac23fa115674c9afc3fc75ff37c72",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.003,
"b": 70.071,
"c": 57.338,
"alpha": 90.00,
"beta": 92.16,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.280,1.740],
"number_observations": 299807,
"number_observations_unique": 42945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.740],
"number_observations": 13324,
"number_observations_unique": 2029,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.375
},
{
"type": "R(meas)",
"value": 2.581
},
{
"type": "R(pim)",
"value": 0.999
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [57.280,8.890],
"number_observations": 2087,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}