Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44b354c834a0d974bbf9fe181d9c4d7f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.350,
"b": 63.372,
"c": 78.665,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.720,1.500],
"number_observations": 212576,
"number_observations_unique": 43931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 6305,
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.645
}
]
},
{
"resolution_limits": [44.720,8.220],
"number_observations": 1250,
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 38.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}