Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b52fc6cf21687adee56fb852d626e5ab",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 121.077,
"b": 87.403,
"c": 91.581,
"alpha": 90.00,
"beta": 109.12,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.750],
"number_observations": 69593,
"number_observations_unique": 21712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "Completeness",
"value": 50.200
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 68.100
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [3.030,2.960],
"number_observations_unique": 1077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [3.100,3.030],
"number_observations_unique": 1150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.170,3.100],
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.260,3.170],
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.360,3.260],
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [3.460,3.360],
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.590,3.460],
"number_observations_unique": 1139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.730,3.590],
"number_observations_unique": 1146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.900,3.730],
"number_observations_unique": 1160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.110,3.900],
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.360,4.110],
"number_observations_unique": 1160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.700,4.360],
"number_observations_unique": 1135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.170,4.700],
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.920,5.170],
"number_observations_unique": 1182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [7.460,5.920],
"number_observations_unique": 1175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [50.000,7.460],
"number_observations_unique": 1201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}