Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "227604f99d4d442ae318d33627a02521",
"space_group_name": "P 1",
"unit_cell": {
"a": 52.73,
"b": 64.25,
"c": 77.01,
"alpha": 80.29,
"beta": 70.08,
"gamma": 86.42
},
"wavelengths": [0.91837,0.97941,0.97855],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.229,2.43],
"number_observations_unique": 31723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 86.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.430],
"number_observations": 7327,
"number_observations_unique": 6445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 87.700
}
]
},
{
"resolution_limits": [2.620,2.520],
"number_observations": 6881,
"number_observations_unique": 6096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 87.800
}
]
},
{
"resolution_limits": [2.740,2.620],
"number_observations": 6992,
"number_observations_unique": 6192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 87.600
}
]
},
{
"resolution_limits": [2.880,2.740],
"number_observations": 6703,
"number_observations_unique": 5928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 86.200
}
]
},
{
"resolution_limits": [3.060,2.880],
"number_observations": 6289,
"number_observations_unique": 5589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 78.300
}
]
},
{
"resolution_limits": [3.300,3.060],
"number_observations": 7236,
"number_observations_unique": 6452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 90.700
}
]
},
{
"resolution_limits": [3.620,3.300],
"number_observations": 6804,
"number_observations_unique": 6128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 90.000
}
]
},
{
"resolution_limits": [4.150,3.620],
"number_observations": 6938,
"number_observations_unique": 6282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 87.100
}
]
},
{
"resolution_limits": [5.210,4.150],
"number_observations": 6502,
"number_observations_unique": 5891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 83.900
}
]
},
{
"resolution_limits": [29.229,5.210],
"number_observations": 6965,
"number_observations_unique": 6354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 88.200
}
]
}
]
}