Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d81cfc5a3a909d1c82263099a84764ac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.603,
"b": 108.615,
"c": 55.628,
"alpha": 90.00,
"beta": 90.91,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations_unique": 59548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.84,1.80],
"number_observations_unique": 3539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "Completeness",
"value": 87.00
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [1.89,1.84],
"number_observations_unique": 3885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.94,1.89],
"number_observations_unique": 4013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.00,1.94],
"number_observations_unique": 3981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.06,2.00],
"number_observations_unique": 4001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.13,2.06],
"number_observations_unique": 4004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.22,2.13],
"number_observations_unique": 3979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.32,2.22],
"number_observations_unique": 3941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [2.44,2.32],
"number_observations_unique": 3949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [2.60,2.44],
"number_observations_unique": 3991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [2.80,2.60],
"number_observations_unique": 4018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [3.08,2.80],
"number_observations_unique": 4023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [3.52,3.08],
"number_observations_unique": 4046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [4.44,3.52],
"number_observations_unique": 4050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [50.00,4.44],
"number_observations_unique": 4128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.00
}
]
}
]
}