Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5605eb8c01bc41b2e4a1ab4a726c967b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.789,
"b": 52.691,
"c": 44.462,
"alpha": 90.00,
"beta": 103.05,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.940,1.480],
"number_observations": 131550,
"number_observations_unique": 40455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.480],
"number_observations": 4198,
"number_observations_unique": 1784,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.069
},
{
"type": "R(meas)",
"value": 1.363
},
{
"type": "R(pim)",
"value": 0.830
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [54.940,8.100],
"number_observations": 1042,
"number_observations_unique": 284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}