Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e75cc871ff37926076c3daa70954191a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.052,
"b": 45.799,
"c": 50.550,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.800,1.200],
"number_observations": 175100,
"number_observations_unique": 30144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 3993,
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.809
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
},
{
"resolution_limits": [45.800,6.570],
"number_observations": 1204,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}