Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "576ef9feb2b95e5b0b80077311d3d93c",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.064,
"b": 59.609,
"c": 61.005,
"alpha": 62.62,
"beta": 71.24,
"gamma": 67.18
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.334,1.350],
"number_observations_unique": 129995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.350],
"number_observations": 73193,
"number_observations_unique": 18628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.510,1.420],
"number_observations": 69562,
"number_observations_unique": 17655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.610,1.510],
"number_observations": 66209,
"number_observations_unique": 16787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.740,1.610],
"number_observations": 61985,
"number_observations_unique": 15721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.910,1.740],
"number_observations": 57243,
"number_observations_unique": 14524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.130,1.910],
"number_observations": 51896,
"number_observations_unique": 13243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.460,2.130],
"number_observations": 45476,
"number_observations_unique": 11728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.020,2.460],
"number_observations": 38243,
"number_observations_unique": 9975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.270,3.020],
"number_observations": 29063,
"number_observations_unique": 7697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.729,4.270],
"number_observations": 14623,
"number_observations_unique": 4037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}