Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c01526590106da6aa10bdf2f9f349094",
"space_group_name": "P 61",
"unit_cell": {
"a": 98.927,
"b": 98.927,
"c": 81.807,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.000,2.270],
"number_observations": 80413,
"number_observations_unique": 20884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.270],
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.350,2.310],
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.400,2.350],
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.450,2.400],
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.500,2.450],
"number_observations_unique": 1061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.560,2.500],
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.620,2.560],
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.690,2.620],
"number_observations_unique": 1036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.860,2.770],
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.960,2.860],
"number_observations_unique": 1032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.080,2.960],
"number_observations_unique": 1061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.220,3.080],
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.390,3.220],
"number_observations_unique": 1052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.600,3.390],
"number_observations_unique": 1022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.880,3.600],
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.270,3.880],
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.890,4.270],
"number_observations_unique": 1026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [6.150,4.890],
"number_observations_unique": 1027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [35.000,6.150],
"number_observations_unique": 1012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}