Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e70b3e6bed145a8f4cb4646532c545a",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 126.723,
"b": 126.723,
"c": 102.041,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.270,1.800],
"number_observations": 1462867,
"number_observations_unique": 43142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 33.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations_unique": 1819,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.632
},
{
"type": "R(meas)",
"value": 4.738
},
{
"type": "R(pim)",
"value": 0.955
},
{
"type": "Completeness",
"value": 70.200
},
{
"type": "Redundancy",
"value": 22.500
},
{
"type": "CC(1/2)",
"value": 0.307
}
]
},
{
"resolution_limits": [46.270,9.000],
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 28.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}