Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57c8e791b1dda2e8a77b37a3a3ca5f4e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 94.563,
"b": 54.816,
"c": 69.770,
"alpha": 90.0,
"beta": 91.8,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.700],
"number_observations_unique": 37460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations_unique": 1971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 77.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [1.780,1.740],
"number_observations_unique": 2407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 2464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 2503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.950,1.890],
"number_observations_unique": 2484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 2504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.100,2.020],
"number_observations_unique": 2528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.190,2.100],
"number_observations_unique": 2527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations_unique": 2502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations_unique": 2545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.640,2.450],
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.910,2.640],
"number_observations_unique": 2583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.330,2.910],
"number_observations_unique": 2565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.190,3.330],
"number_observations_unique": 2634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [25.000,4.190],
"number_observations_unique": 2674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}