Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a597899516c2571249eeb133c527028",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.505,
"b": 132.107,
"c": 177.833,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.950],
"number_observations_unique": 111600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations_unique": 3250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 51.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.020,1.980],
"number_observations_unique": 3584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 56.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.060,2.020],
"number_observations_unique": 4016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 63.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.100,2.060],
"number_observations_unique": 4708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 74.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 5559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 5519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 5529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 5589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations_unique": 5633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.460,2.380],
"number_observations_unique": 5718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations_unique": 5878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations_unique": 6016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.770,2.650],
"number_observations_unique": 6147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.910,2.770],
"number_observations_unique": 6239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.100,2.910],
"number_observations_unique": 6282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.330,3.100],
"number_observations_unique": 6332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.670,3.330],
"number_observations_unique": 6354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [4.200,3.670],
"number_observations_unique": 6361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [5.290,4.200],
"number_observations_unique": 6431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [50.000,5.290],
"number_observations_unique": 6455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
}
]
}