Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "870a6112bfe901f2d3921b9f3be4bab9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.97,
"b": 66.16,
"c": 70.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.28,1.8],
"number_observations_unique": 23994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.7
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.8],
"number_observations_unique": 2367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "R(meas)",
"value": 0.861
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.77
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations_unique": 2344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 9.1
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.03,1.94],
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations_unique": 2393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.27,2.13],
"number_observations_unique": 2341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 16.2
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.44,2.27],
"number_observations_unique": 2378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 20.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.69,2.44],
"number_observations_unique": 2410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 28.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.08,2.69],
"number_observations_unique": 2410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.53
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 38.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.88,3.08],
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 53.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.28,3.88],
"number_observations_unique": 2550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 59.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.2
},
{
"type": "CC(1/2)",
"value": 1
}
]
}
]
}