Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fbfae68d0ffc7e0d88638d45a523e078",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 79.159,
"b": 79.159,
"c": 37.954,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.21549],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.413,1.198],
"number_observations": 124191,
"number_observations_unique": 35811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.200],
"number_observations": 14188,
"number_observations_unique": 4754,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.638
},
{
"type": "R(meas)",
"value": 3.115
},
{
"type": "R(pim)",
"value": 1.600
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.340,1.260],
"number_observations": 17124,
"number_observations_unique": 5014,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.528
},
{
"type": "R(meas)",
"value": 1.787
},
{
"type": "R(pim)",
"value": 0.896
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.430,1.340],
"number_observations": 16159,
"number_observations_unique": 4643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.822
},
{
"type": "R(meas)",
"value": 0.961
},
{
"type": "R(pim)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.550,1.430],
"number_observations": 15437,
"number_observations_unique": 4289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.690,1.550],
"number_observations": 14329,
"number_observations_unique": 3984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.890,1.690],
"number_observations": 13122,
"number_observations_unique": 3683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.190,1.890],
"number_observations": 11840,
"number_observations_unique": 3260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.680,2.190],
"number_observations": 9977,
"number_observations_unique": 2768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.790,2.680],
"number_observations": 7829,
"number_observations_unique": 2175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [31.413,3.790],
"number_observations": 4186,
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}