Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa2ac78e97d04ff64c6fd348238ce246",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 551.8,
"b": 551.8,
"c": 551.8,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97776],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.958,4.000],
"number_observations": 9650681,
"number_observations_unique": 229056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.882
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 42.132
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [4.240,4.000],
"number_observations": 1339654,
"number_observations_unique": 33519,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.402
},
{
"type": "R(meas)",
"value": 6.482
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 39.967
},
{
"type": "CC(1/2)",
"value": 0.201
}
]
},
{
"resolution_limits": [4.540,4.240],
"number_observations": 1554307,
"number_observations_unique": 36053,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.575
},
{
"type": "R(meas)",
"value": 3.618
},
{
"type": "I/SigI",
"value": 1.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 43.112
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [4.900,4.540],
"number_observations": 1388251,
"number_observations_unique": 32470,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.466
},
{
"type": "R(meas)",
"value": 2.495
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.755
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [5.360,4.900],
"number_observations": 1269279,
"number_observations_unique": 29803,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.142
},
{
"type": "R(meas)",
"value": 2.168
},
{
"type": "I/SigI",
"value": 2.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.589
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [5.990,5.360],
"number_observations": 1153546,
"number_observations_unique": 27418,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.591
},
{
"type": "R(meas)",
"value": 1.610
},
{
"type": "I/SigI",
"value": 3.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.073
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [6.910,5.990],
"number_observations": 1059263,
"number_observations_unique": 24217,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.060
},
{
"type": "R(meas)",
"value": 1.072
},
{
"type": "I/SigI",
"value": 4.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 43.740
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [8.430,6.910],
"number_observations": 865389,
"number_observations_unique": 20381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 9.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.461
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [11.770,8.430],
"number_observations": 649253,
"number_observations_unique": 15902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 18.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.828
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [49.958,11.770],
"number_observations": 371739,
"number_observations_unique": 9293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 31.410
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 40.002
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}