{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "355c040942c215fd1b30260dbb8f6db9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.585,
"b": 71.322,
"c": 176.163,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.860],
"number_observations_unique": 21432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.860],
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.942
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.960,2.910],
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.667
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.220,3.150],
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.300,3.220],
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.390,3.300],
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.490,3.390],
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.600,3.490],
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.730,3.600],
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.880,3.730],
"number_observations_unique": 1064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [4.060,3.880],
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [4.270,4.060],
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.540,4.270],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [4.890,4.540],
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [5.380,4.890],
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [6.160,5.380],
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [7.750,6.160],
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [50.000,7.750],
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}
|