Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3523b2f988173d6b09b34ee06740ef7f",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.55,
"b": 67.55,
"c": 166.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.880,1.800],
"number_observations": 196311,
"number_observations_unique": 21692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 11566,
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.864
},
{
"type": "R(meas)",
"value": 0.914
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [33.880,9.000],
"number_observations": 1518,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}