Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "013b881aa05aff7d2a5a182e10b4b8e9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.264,
"b": 71.710,
"c": 119.722,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.82661],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.722,1.410],
"number_observations": 1326865,
"number_observations_unique": 103444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 34.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.49,1.41],
"number_observations": 125807,
"number_observations_unique": 13124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.24
},
{
"type": "R(pim)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 86.70
},
{
"type": "Redundancy",
"value": 9.60
}
]
},
{
"resolution_limits": [1.58,1.49],
"number_observations": 192095,
"number_observations_unique": 14450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.18
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [1.69,1.58],
"number_observations": 180889,
"number_observations_unique": 13594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.12
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [1.82,1.69],
"number_observations": 169380,
"number_observations_unique": 12644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [1.99,1.82],
"number_observations": 155794,
"number_observations_unique": 11724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [2.23,1.99],
"number_observations": 138546,
"number_observations_unique": 10582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [2.57,2.23],
"number_observations": 127165,
"number_observations_unique": 9402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.50
}
]
},
{
"resolution_limits": [3.15,2.57],
"number_observations": 108960,
"number_observations_unique": 8017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.60
}
]
},
{
"resolution_limits": [4.46,3.15],
"number_observations": 83514,
"number_observations_unique": 6280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [119.72,4.46],
"number_observations": 44715,
"number_observations_unique": 3627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.30
}
]
}
]
}