Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3fb38e7c7d7939b3047757afad1d1c1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.613,
"b": 45.288,
"c": 61.985,
"alpha": 90.00,
"beta": 112.07,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.290,1.800],
"number_observations": 102454,
"number_observations_unique": 27539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 6244,
"number_observations_unique": 1620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.661
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [45.290,9.000],
"number_observations": 886,
"number_observations_unique": 242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}