Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "03b892fde43d92ab389d15e8ec7a7719",
"space_group_name": "P 1",
"unit_cell": {
"a": 38.250,
"b": 57.720,
"c": 65.605,
"alpha": 89.00,
"beta": 89.65,
"gamma": 89.22
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.98],
"number_observations": 261544,
"number_observations_unique": 35704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 92.0
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.01,1.98],
"number_observations_unique": 1807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "Completeness",
"value": 91.8
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [2.05,2.01],
"number_observations_unique": 1796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 1778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(meas)",
"value": 0.488
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "Completeness",
"value": 92.3
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.13,2.09],
"number_observations_unique": 1813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 92.3
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.18,2.13],
"number_observations_unique": 1752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "Completeness",
"value": 92.2
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.23,2.18],
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "Completeness",
"value": 90.3
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.29,2.23],
"number_observations_unique": 1668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 86.2
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.35,2.29],
"number_observations_unique": 1794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 91.6
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.42,2.35],
"number_observations_unique": 1812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 94.0
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 1815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.58,2.49],
"number_observations_unique": 1798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 93.1
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.69,2.58],
"number_observations_unique": 1798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.81,2.69],
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 85.8
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.96,2.81],
"number_observations_unique": 1851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.14,2.96],
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.39,3.14],
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.73,3.39],
"number_observations_unique": 1730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 89.0
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.26,3.73],
"number_observations_unique": 1875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.37,4.26],
"number_observations_unique": 1772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 91.3
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.00,5.37],
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 93.9
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}