Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "139bf7854aadab481b1a82c10e0ac8d7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.694,
"b": 45.463,
"c": 63.693,
"alpha": 90.00,
"beta": 111.86,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.470,1.500],
"number_observations": 125113,
"number_observations_unique": 39484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 78.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 4300,
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 27.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [54.470,4.730],
"number_observations": 5371,
"number_observations_unique": 1622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 63.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}