Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "244d5541463768dfeaca11dfff47fbce",
"space_group_name": "P 43",
"unit_cell": {
"a": 123.856,
"b": 123.856,
"c": 187.994,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97935,0.97951],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,3.200],
"number_observations": 203007,
"number_observations_unique": 45885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.200],
"number_observations_unique": 4534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.966
},
{
"type": "R(meas)",
"value": 1.112
},
{
"type": "R(pim)",
"value": 0.539
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.426
}
]
},
{
"resolution_limits": [3.450,3.310],
"number_observations_unique": 4621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.777
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [3.600,3.450],
"number_observations_unique": 4559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [3.790,3.600],
"number_observations_unique": 4617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [4.030,3.790],
"number_observations_unique": 4604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [4.340,4.030],
"number_observations_unique": 4599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.780,4.340],
"number_observations_unique": 4640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.460,4.780],
"number_observations_unique": 4581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [6.870,5.460],
"number_observations_unique": 4615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [30.000,6.870],
"number_observations_unique": 4515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}