Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a8b51fbe0ed7a433fd14f11d1bebbcc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.065,
"b": 56.685,
"c": 102.089,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.180,2.320],
"number_observations": 91332,
"number_observations_unique": 14261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.320],
"number_observations": 4083,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.128
},
{
"type": "R(meas)",
"value": 5.696
},
{
"type": "R(pim)",
"value": 2.414
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 73.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [29.180,10.370],
"number_observations": 1144,
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}