Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b78de551b46ca1bc58211dc4f7f69e0e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.717,
"b": 81.569,
"c": 81.489,
"alpha": 90.00,
"beta": 99.89,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.278,1.400],
"number_observations": 385340,
"number_observations_unique": 109794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.400],
"number_observations": 55798,
"number_observations_unique": 15834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.743
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.570,1.480],
"number_observations": 49500,
"number_observations_unique": 14626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.467
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.670,1.570],
"number_observations": 51214,
"number_observations_unique": 14312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.810,1.670],
"number_observations": 47693,
"number_observations_unique": 13324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.980,1.810],
"number_observations": 41133,
"number_observations_unique": 12042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.210,1.980],
"number_observations": 41351,
"number_observations_unique": 11342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.560,2.210],
"number_observations": 35344,
"number_observations_unique": 10009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.130,2.560],
"number_observations": 28120,
"number_observations_unique": 8217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.430,3.130],
"number_observations": 23052,
"number_observations_unique": 6539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [45.038,4.430],
"number_observations": 12135,
"number_observations_unique": 3549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}