Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "453ae9de6e0fe5b8835a11c593c8b2b3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 141.090,
"b": 213.592,
"c": 225.909,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.247,3.300],
"number_observations": 343880,
"number_observations_unique": 101546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.142
}
]
},
{
"resolution_limits": [3.550,3.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "R(pim)",
"value": 0.371
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.301
}
]
},
{
"resolution_limits": [3.720,3.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(meas)",
"value": 0.543
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [3.910,3.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [4.160,3.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [4.480,4.160],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [4.930,4.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.640,4.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [7.110,5.640],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [150.000,7.110],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}