Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8051aef35a33a189959ba036451a3dc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.988,
"b": 56.241,
"c": 82.960,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.450],
"number_observations_unique": 44561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.50,1.45],
"number_observations_unique": 4263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [1.56,1.50],
"number_observations_unique": 4427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [1.63,1.56],
"number_observations_unique": 4387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [1.72,1.63],
"number_observations_unique": 4480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [1.83,1.72],
"number_observations_unique": 4446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [1.97,1.83],
"number_observations_unique": 4441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [2.17,1.97],
"number_observations_unique": 4458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [2.48,2.17],
"number_observations_unique": 4472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [3.12,2.48],
"number_observations_unique": 4531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [50.00,3.12],
"number_observations_unique": 4656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 4.00
}
]
}
]
}