Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "072268f48fa450c1a4db4b8b7408f99a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.053,
"b": 79.548,
"c": 113.520,
"alpha": 90.00,
"beta": 94.95,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.070,2.000],
"number_observations": 323640,
"number_observations_unique": 78077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.000],
"number_observations": 18736,
"number_observations_unique": 4474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "R(meas)",
"value": 0.723
},
{
"type": "R(pim)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
},
{
"resolution_limits": [65.070,10.200],
"number_observations": 2287,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
}
]
}