Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3f856a4c484076963f3ecd980641723",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 85.989,
"b": 85.989,
"c": 126.151,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.200,2.040],
"number_observations": 874713,
"number_observations_unique": 30831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.040],
"number_observations_unique": 3024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.923
},
{
"type": "R(meas)",
"value": 0.940
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.400
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.210,2.120],
"number_observations_unique": 3009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.700
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 3035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.450
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.100
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations_unique": 3042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.580,2.430],
"number_observations_unique": 3023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.780,2.580],
"number_observations_unique": 3079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.060,2.780],
"number_observations_unique": 3064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.500,3.060],
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.420,3.500],
"number_observations_unique": 3134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.200,4.420],
"number_observations_unique": 3331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}