Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3645b251c0d156ced575700264439fe",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.388,
"b": 70.388,
"c": 199.648,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.350],
"number_observations": 362134,
"number_observations_unique": 21697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 16.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.350],
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 1.72
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [2.430,2.390],
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.836
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 1017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.841
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.759
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 15.300
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.702
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 17.000
}
]
},
{
"resolution_limits": [2.650,2.590],
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 18.000
}
]
},
{
"resolution_limits": [2.710,2.650],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.603
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 18.300
}
]
},
{
"resolution_limits": [2.790,2.710],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 18.300
}
]
},
{
"resolution_limits": [2.870,2.790],
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 18.300
}
]
},
{
"resolution_limits": [2.960,2.870],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 18.300
}
]
},
{
"resolution_limits": [3.070,2.960],
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 18.200
}
]
},
{
"resolution_limits": [3.190,3.070],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 18.300
}
]
},
{
"resolution_limits": [3.330,3.190],
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 18.100
}
]
},
{
"resolution_limits": [3.510,3.330],
"number_observations_unique": 1075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 18.100
}
]
},
{
"resolution_limits": [3.730,3.510],
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 17.900
}
]
},
{
"resolution_limits": [4.020,3.730],
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 17.800
}
]
},
{
"resolution_limits": [4.420,4.020],
"number_observations_unique": 1119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 17.500
}
]
},
{
"resolution_limits": [5.060,4.420],
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.300
}
]
},
{
"resolution_limits": [6.370,5.060],
"number_observations_unique": 1157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
}
]
},
{
"resolution_limits": [40.000,6.370],
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 15.100
}
]
}
]
}