Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c05cf716b4a2ef80f97843119bcd9c0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.988,
"b": 40.914,
"c": 71.339,
"alpha": 90.00,
"beta": 104.14,
"gamma": 90.00
},
"wavelengths": [0.81500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.260,2.000],
"number_observations_unique": 15098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.11,2.00],
"number_observations": 8009,
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.39
},
{
"type": "R(pim)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 92.50
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.24,2.11],
"number_observations": 7689,
"number_observations_unique": 2065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.30
},
{
"type": "R(pim)",
"value": 0.14
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 94.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.39,2.24],
"number_observations": 7362,
"number_observations_unique": 1957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.24
},
{
"type": "R(pim)",
"value": 0.11
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 94.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations": 6916,
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.20
},
{
"type": "R(pim)",
"value": 0.10
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 94.30
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.83,2.58],
"number_observations": 6930,
"number_observations_unique": 1709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.16
},
{
"type": "R(pim)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 95.20
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [3.16,2.83],
"number_observations": 6470,
"number_observations_unique": 1533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "R(pim)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.65,3.16],
"number_observations": 5716,
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.12
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.47,3.65],
"number_observations": 4830,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.10
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 95.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [6.32,4.47],
"number_observations": 3670,
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 94.80
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [30.26,6.32],
"number_observations": 1835,
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.11
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 89.70
},
{
"type": "Redundancy",
"value": 3.80
}
]
}
]
}