Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63d1bfa0d2cac26b99419f640b13b54d",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 128.01,
"b": 195.57,
"c": 228.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.99,3.81],
"number_observations_unique": 28155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 11.07
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [3.91,3.81],
"number_observations_unique": 1980,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.051
},
{
"type": "R(meas)",
"value": 2.237
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [4.01,3.91],
"number_observations_unique": 2035,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.48
},
{
"type": "R(meas)",
"value": 1.609
},
{
"type": "CC(1/2)",
"value": 0.6729999999999999
}
]
},
{
"resolution_limits": [4.13,4.01],
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.1540000000000001
},
{
"type": "R(meas)",
"value": 1.25
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [4.26,4.13],
"number_observations_unique": 1900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.82
},
{
"type": "R(meas)",
"value": 0.8859999999999999
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [4.4,4.26],
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6709999999999999
},
{
"type": "R(meas)",
"value": 0.723
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [4.55,4.40],
"number_observations_unique": 1801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "R(meas)",
"value": 0.544
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [4.72,4.55],
"number_observations_unique": 1731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.462
},
{
"type": "CC(1/2)",
"value": 0.9570000000000001
}
]
},
{
"resolution_limits": [4.91,4.72],
"number_observations_unique": 1681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.38
},
{
"type": "R(meas)",
"value": 0.41
},
{
"type": "CC(1/2)",
"value": 0.96
}
]
},
{
"resolution_limits": [5.13,4.91],
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [5.38,5.13],
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [5.67,5.38],
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28300000000000003
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [6.02,5.67],
"number_observations_unique": 1399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.28600000000000003
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [6.43,6.02],
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [6.95,6.43],
"number_observations_unique": 1221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.61,6.95],
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.07200000000000001
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.51,7.61],
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [9.83,8.51],
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036000000000000004
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [12.04,9.83],
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036000000000000004
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [17.02,12.04],
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [19.99,17.02],
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028999999999999998
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}