Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe45be652bd4ed1d50e65c2ff2a6f636",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.97,
"b": 59.23,
"c": 61.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.571,1.500],
"number_observations_unique": 30318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 30599,
"number_observations_unique": 4357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.680,1.580],
"number_observations": 29253,
"number_observations_unique": 4140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.790,1.680],
"number_observations": 27758,
"number_observations_unique": 3885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.940,1.790],
"number_observations": 26311,
"number_observations_unique": 3644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.120,1.940],
"number_observations": 24424,
"number_observations_unique": 3375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.370,2.120],
"number_observations": 22101,
"number_observations_unique": 3053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.740,2.370],
"number_observations": 19588,
"number_observations_unique": 2709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.350,2.740],
"number_observations": 16626,
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.740,3.350],
"number_observations": 12669,
"number_observations_unique": 1831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [26.660,4.740],
"number_observations": 6169,
"number_observations_unique": 1004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}