Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6733ee343736b267b72a3827173bdbda",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 50.910,
"b": 104.883,
"c": 168.096,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.430],
"number_observations_unique": 6110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.510,3.450],
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "R(meas)",
"value": 0.808
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [3.570,3.510],
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.688
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [3.640,3.570],
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "R(meas)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [3.720,3.640],
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [3.800,3.720],
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [3.890,3.800],
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [3.980,3.890],
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [4.090,3.980],
"number_observations_unique": 298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [4.210,4.090],
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [4.350,4.210],
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.500,4.350],
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.680,4.500],
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.890,4.680],
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [5.150,4.890],
"number_observations_unique": 300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.470,5.150],
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [5.900,5.470],
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [6.490,5.900],
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [7.430,6.490],
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [9.350,7.430],
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [50.000,9.350],
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}