Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b15dbc2fc9aa80721adcd678c072ce1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.598,
"b": 78.117,
"c": 58.849,
"alpha": 90.00,
"beta": 106.59,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 69665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 3387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 3489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 3484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 3447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 3505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 3463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 3471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 3456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 3492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 3500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 3497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 3526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 3472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.020,2.840],
"number_observations_unique": 3507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.250,3.020],
"number_observations_unique": 3521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.580,3.250],
"number_observations_unique": 3476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.090,3.580],
"number_observations_unique": 3550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [5.160,4.090],
"number_observations_unique": 3497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [50.000,5.160],
"number_observations_unique": 3435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}