Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f5853d81cc64abf5bea42fe5dcb8437",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 102.531,
"b": 102.531,
"c": 170.115,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations": 199629,
"number_observations_unique": 24130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 1189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 1151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 1177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 1166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 1178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 1191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 1185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 1193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 1216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 1219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 1233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 1259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 1349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 7.300
}
]
}
]
}