Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92199071c62afbdc446ef70261bad73c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.570,
"b": 105.936,
"c": 108.030,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.860],
"number_observations": 262587,
"number_observations_unique": 64028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.860],
"number_observations_unique": 3117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.930,1.890],
"number_observations_unique": 3034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.960,1.930],
"number_observations_unique": 3061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.000,1.960],
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 3028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 2974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations_unique": 2999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations_unique": 3016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations_unique": 3054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.340,2.270],
"number_observations_unique": 3191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.430,2.340],
"number_observations_unique": 3199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.520,2.430],
"number_observations_unique": 3286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.640,2.520],
"number_observations_unique": 3293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.780,2.640],
"number_observations_unique": 3300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.950,2.780],
"number_observations_unique": 3314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.180,2.950],
"number_observations_unique": 3350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.500,3.180],
"number_observations_unique": 3388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.010,3.500],
"number_observations_unique": 3397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [5.050,4.010],
"number_observations_unique": 3446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [40.000,5.050],
"number_observations_unique": 3530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}