Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59f0c39b6d1c62b6b2f5a089b67417a8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.832,
"b": 81.886,
"c": 94.094,
"alpha": 90.00,
"beta": 108.82,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.6,1.51],
"number_observations": 690920,
"number_observations_unique": 100112,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 14.11
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.6,4.50],
"number_observations": 26926,
"number_observations_unique": 3871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 50.52
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.96
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.6,3.19],
"number_observations": 47308,
"number_observations_unique": 6864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 46.10
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.6,2.61],
"number_observations": 61403,
"number_observations_unique": 8851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 32.94
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.6,2.26],
"number_observations": 74050,
"number_observations_unique": 10446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 23.21
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.6,2.02],
"number_observations": 81219,
"number_observations_unique": 11797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 14.44
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [44.6,1.85],
"number_observations": 89702,
"number_observations_unique": 13070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 7.64
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [44.6,1.71],
"number_observations": 97301,
"number_observations_unique": 14134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.61
},
{
"type": "I/SigI",
"value": 3.72
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [44.6,1.60],
"number_observations": 104979,
"number_observations_unique": 15207,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.09
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "I/SigI",
"value": 1.87
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [44.6,1.51],
"number_observations": 108032,
"number_observations_unique": 15872,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.006
},
{
"type": "R(meas)",
"value": 2.174
},
{
"type": "I/SigI",
"value": 0.95
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.401
}
]
}
]
}