Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "619a66ed913a88b34d19e2268e2b7f66",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 69.707,
"b": 69.707,
"c": 79.228,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.53],
"number_observations": 659002,
"number_observations_unique": 34153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.56,1.53],
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.366
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 16.9
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.58,1.56],
"number_observations_unique": 1675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.2
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.62,1.58],
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.65,1.62],
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.4
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 1662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.72,1.68],
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.77,1.72],
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.81,1.77],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.87,1.81],
"number_observations_unique": 1685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.93,1.87],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.00,1.93],
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.08,2.00],
"number_observations_unique": 1688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.17,2.08],
"number_observations_unique": 1707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.29,2.17],
"number_observations_unique": 1693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.43,2.29],
"number_observations_unique": 1710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.62,2.43],
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.88,2.62],
"number_observations_unique": 1730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.30,2.88],
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.15,3.30],
"number_observations_unique": 1748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,4.15],
"number_observations_unique": 1856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}