Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "689847e5b13147b1b301cc61d0fd0ffd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 182.02,
"b": 203.54,
"c": 177.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.41330],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.9],
"number_observations_unique": 503312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 98.09
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 49048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.973
},
{
"type": "R(meas)",
"value": 1.116
},
{
"type": "R(pim)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 96.33
},
{
"type": "Redundancy",
"value": 4.23
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [2.05,1.97],
"number_observations_unique": 49426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.811
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 96.87
},
{
"type": "Redundancy",
"value": 4.40
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [2.14,2.05],
"number_observations_unique": 49846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.607
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 97.68
},
{
"type": "Redundancy",
"value": 4.56
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [2.25,2.14],
"number_observations_unique": 50137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.453
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 98.23
},
{
"type": "Redundancy",
"value": 4.72
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.39,2.25],
"number_observations_unique": 50448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 98.64
},
{
"type": "Redundancy",
"value": 4.74
},
{
"type": "CC(1/2)",
"value": 0.94
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations_unique": 50367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 98.53
},
{
"type": "Redundancy",
"value": 4.74
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.84,2.58],
"number_observations_unique": 50547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 98.65
},
{
"type": "Redundancy",
"value": 4.61
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.25,2.84],
"number_observations_unique": 49720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 96.76
},
{
"type": "Redundancy",
"value": 4.39
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.09,3.25],
"number_observations_unique": 51251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 99.32
},
{
"type": "Redundancy",
"value": 5.49
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [40,4.09],
"number_observations_unique": 52522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 99.87
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}