Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc393f6097025779a7131810105992ed",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 86.096,
"b": 86.096,
"c": 199.986,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.1,1.900],
"number_observations_unique": 68031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.963
},
{
"type": "I/SigI",
"value": 2.23
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 3339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.837
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 3360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 3389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 3374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 3359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 3347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 3381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 3364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 3383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 3364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 3379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 3413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [3.020,2.840],
"number_observations_unique": 3420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [3.250,3.020],
"number_observations_unique": 3430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [3.580,3.250],
"number_observations_unique": 3439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [4.090,3.580],
"number_observations_unique": 3458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [5.160,4.090],
"number_observations_unique": 3496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [50.000,5.160],
"number_observations_unique": 3653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.200
}
]
}
]
}