Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68e5f31aed2f89a51470a3eb1ef167e3",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 108.28,
"b": 108.28,
"c": 159.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.592,4.200],
"number_observations_unique": 7388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.200
}
]
},
"refln_shells": [
{
"resolution_limits": [4.430,4.200],
"number_observations": 20025,
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
}
]
},
{
"resolution_limits": [4.700,4.430],
"number_observations": 19002,
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
}
]
},
{
"resolution_limits": [5.020,4.700],
"number_observations": 17678,
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
}
]
},
{
"resolution_limits": [5.420,5.020],
"number_observations": 16522,
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.600
}
]
},
{
"resolution_limits": [5.940,5.420],
"number_observations": 14966,
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.400
}
]
},
{
"resolution_limits": [6.640,5.940],
"number_observations": 13458,
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
}
]
},
{
"resolution_limits": [7.670,6.640],
"number_observations": 11878,
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.700
}
]
},
{
"resolution_limits": [9.390,7.670],
"number_observations": 9347,
"number_observations_unique": 566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.500
}
]
},
{
"resolution_limits": [13.280,9.390],
"number_observations": 7276,
"number_observations_unique": 464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 15.700
}
]
},
{
"resolution_limits": [108.280,13.280],
"number_observations": 4061,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 14.900
}
]
}
]
}