Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6217b048d09cbe716b70c4c6d9c454d",
"space_group_name": "P 61",
"unit_cell": {
"a": 104.977,
"b": 104.977,
"c": 101.659,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.750],
"number_observations_unique": 16516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.748
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.030,2.960],
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.100,3.030],
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.170,3.100],
"number_observations_unique": 816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.260,3.170],
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.360,3.260],
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.460,3.360],
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.590,3.460],
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.730,3.590],
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.900,3.730],
"number_observations_unique": 832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [4.110,3.900],
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [4.360,4.110],
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [4.700,4.360],
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [5.170,4.700],
"number_observations_unique": 833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [5.920,5.170],
"number_observations_unique": 844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [7.460,5.920],
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [50.000,7.460],
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}