Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebf61a9640d6284509dbc6ffd864fa38",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.015,
"b": 56.187,
"c": 109.144,
"alpha": 102.13,
"beta": 100.53,
"gamma": 90.36
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.5,1.900],
"number_observations_unique": 81926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 2729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 2.85
},
{
"type": "Completeness",
"value": 62.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 3193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "Completeness",
"value": 71.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 3958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 4244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 4213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 4336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 4178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 4333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 4285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 4198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 4287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 4315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 4230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 4312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.020,2.840],
"number_observations_unique": 4254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.250,3.020],
"number_observations_unique": 4305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.580,3.250],
"number_observations_unique": 4228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [4.090,3.580],
"number_observations_unique": 4197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [5.160,4.090],
"number_observations_unique": 4023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [50.000,5.160],
"number_observations_unique": 4108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}