Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a77c7685f1349cbd3939ea2ea41b0575",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 70.282,
"b": 78.839,
"c": 161.651,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07216],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.55,1.56],
"number_observations_unique": 61653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.64,1.56],
"number_observations_unique": 8006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.74,1.64],
"number_observations_unique": 8304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.86,1.74],
"number_observations_unique": 8019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.01,1.86],
"number_observations_unique": 7552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.21,2.01],
"number_observations_unique": 6984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.47,2.21],
"number_observations_unique": 6326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.85,2.47],
"number_observations_unique": 5643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.49,2.85],
"number_observations_unique": 4850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.93,3.49],
"number_observations_unique": 3815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [23.55,4.93],
"number_observations_unique": 2154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}