Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "396c847ff207257a4d61e1874998c941",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 76.345,
"b": 82.577,
"c": 116.386,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.980],
"number_observations_unique": 51314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 2521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.130,2.090],
"number_observations_unique": 2559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.180,2.130],
"number_observations_unique": 2557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.230,2.180],
"number_observations_unique": 2557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.290,2.230],
"number_observations_unique": 2547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.350,2.290],
"number_observations_unique": 2559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 2538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 2578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.580,2.490],
"number_observations_unique": 2536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations_unique": 2542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations_unique": 2571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations_unique": 2567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.140,2.960],
"number_observations_unique": 2543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.380,3.140],
"number_observations_unique": 2597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.720,3.380],
"number_observations_unique": 2607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.260,3.720],
"number_observations_unique": 2509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [5.360,4.260],
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [30.000,5.360],
"number_observations_unique": 2682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
}
]
}