Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa7f829c040f6d43a98ab0cb8fdc43c2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.96,
"b": 58.06,
"c": 103.08,
"alpha": 90.00,
"beta": 93.25,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.060,2.100],
"number_observations": 183894,
"number_observations_unique": 45231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 14618,
"number_observations_unique": 3648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [58.060,8.910],
"number_observations": 2494,
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}