Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a111f60acb4d8d84f2b0c90d80a3986e",
"space_group_name": "P 61",
"unit_cell": {
"a": 114.251,
"b": 114.251,
"c": 55.550,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.920],
"number_observations_unique": 60451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.920],
"number_observations_unique": 2985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.849
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 2984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [2.030,1.990],
"number_observations_unique": 2991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 3030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 3070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [2.160,2.110],
"number_observations_unique": 2963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [2.220,2.160],
"number_observations_unique": 3018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.280,2.220],
"number_observations_unique": 3089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.340,2.280],
"number_observations_unique": 3008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.420,2.340],
"number_observations_unique": 3000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations_unique": 3039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.610,2.510],
"number_observations_unique": 3081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.720,2.610],
"number_observations_unique": 3020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.870,2.720],
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [3.050,2.870],
"number_observations_unique": 3037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [3.280,3.050],
"number_observations_unique": 3049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [3.610,3.280],
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [4.140,3.610],
"number_observations_unique": 3032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [5.210,4.140],
"number_observations_unique": 3024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [50.000,5.210],
"number_observations_unique": 2907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 10.300
}
]
}
]
}