Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e42b87d889f294b3045ec847dd30b48f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.852,
"b": 72.730,
"c": 63.629,
"alpha": 90.00,
"beta": 92.66,
"gamma": 90.00
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.6,1.800],
"number_observations_unique": 47106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 6074,
"number_observations_unique": 2706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.891
},
{
"type": "R(meas)",
"value": 1.140
},
{
"type": "R(pim)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [20.590,9.000],
"number_observations": 1005,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 32.300
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}