Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0bfedd64569b62fc4846e0209c454e6b",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 120.470,
"b": 148.886,
"c": 234.719,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.9,2.130],
"number_observations_unique": 115778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.130],
"number_observations_unique": 5734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "I/SigI",
"value": 1.95
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.210,2.170],
"number_observations_unique": 5729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.250,2.210],
"number_observations_unique": 5730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.290,2.250],
"number_observations_unique": 5775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.340,2.290],
"number_observations_unique": 5649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.400,2.340],
"number_observations_unique": 5773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.460,2.400],
"number_observations_unique": 5690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.530,2.460],
"number_observations_unique": 5763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations_unique": 5680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.680,2.600],
"number_observations_unique": 5700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.780,2.680],
"number_observations_unique": 5724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.890,2.780],
"number_observations_unique": 5736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.020,2.890],
"number_observations_unique": 5741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.180,3.020],
"number_observations_unique": 5734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [3.380,3.180],
"number_observations_unique": 5834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.640,3.380],
"number_observations_unique": 5874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [4.010,3.640],
"number_observations_unique": 5895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [4.590,4.010],
"number_observations_unique": 5931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [5.780,4.590],
"number_observations_unique": 5968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [50.000,5.780],
"number_observations_unique": 6118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
}
]
}