Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d58eedd9f954acda0f51cebfbb58aed8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 119.17,
"b": 139.31,
"c": 173.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97902,0.97944,1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.7],
"number_observations_unique": 157493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 15584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations_unique": 15676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations_unique": 15617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [2.02,1.91],
"number_observations_unique": 15649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations_unique": 15688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations_unique": 15707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations_unique": 15733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [2.91,2.54],
"number_observations_unique": 15808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 29.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [3.66,2.91],
"number_observations_unique": 15874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 33.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [50,3.66],
"number_observations_unique": 16157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 43.7
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.5
}
]
}
]
}