Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4bafe295217c677d174ef77b0ad9b8f8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.555,
"b": 84.612,
"c": 59.227,
"alpha": 90.00,
"beta": 108.15,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.260,1.760],
"number_observations": 337732,
"number_observations_unique": 51503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.760],
"number_observations": 14368,
"number_observations_unique": 2915,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.948
},
{
"type": "R(meas)",
"value": 3.299
},
{
"type": "R(pim)",
"value": 1.452
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.433
}
]
},
{
"resolution_limits": [56.260,8.980],
"number_observations": 2540,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 60.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
}
]
}