Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2542ef75b5d9d88e0b780095cc3a5240",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 124.483,
"b": 124.483,
"c": 124.483,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930,0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.01,3.30],
"number_observations_unique": 18774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.6
}
]
},
"refln_shells": [
{
"resolution_limits": [3.38,3.30],
"number_observations": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [3.46,3.38],
"number_observations": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [3.55,3.46],
"number_observations": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [3.66,3.55],
"number_observations": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [3.78,3.66],
"number_observations": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [3.91,3.78],
"number_observations": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [4.07,3.91],
"number_observations": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [4.25,4.07],
"number_observations": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [4.48,4.25],
"number_observations": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [4.76,4.48],
"number_observations": 661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [5.13,4.76],
"number_observations": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [5.64,5.13],
"number_observations": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [6.46,5.64],
"number_observations": 674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [8.13,6.46],
"number_observations": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.2
}
]
},
{
"resolution_limits": [50.00,8.13],
"number_observations": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.2
}
]
}
]
}