Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5db4ddaf07131cdf5f1c402e8d368573",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 135.695,
"b": 262.047,
"c": 149.213,
"alpha": 90.00,
"beta": 100.81,
"gamma": 90.00
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,3.190],
"number_observations_unique": 168385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [3.250,3.190],
"number_observations_unique": 7846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.861
},
{
"type": "R(meas)",
"value": 1.036
},
{
"type": "R(pim)",
"value": 0.570
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.575
}
]
},
{
"resolution_limits": [49.350,17.490],
"number_observations_unique": 1017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}