Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f74c6047c179e696a59bcc6ed8fcb10",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 130.41,
"b": 107.86,
"c": 125.86,
"alpha": 90.00,
"beta": 115.59,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.48],
"number_observations_unique": 54914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.48],
"number_observations_unique": 2720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.849
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 2726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 2718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 2762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 2727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 2728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 2743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 2753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 2736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 2732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 2749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 2717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 2759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 2743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 2727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [50.000,6.780],
"number_observations_unique": 2820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
}
]
}